H2V
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | H | sing | 1.09Å | 1.10Å | |
C | HA | sing | 1.09Å | 1.10Å | |
C | HB | sing | 1.09Å | 1.10Å | |
N | C6 | sing | 1.46Å | 1.45Å | |
N | HN | sing | 0.97Å | 1.00Å | |
O | C3 | sing | 1.43Å | 1.43Å | |
P | O | sing | 1.61Å | 1.59Å | |
P | O1 | sing | 1.61Å | 1.54Å | |
P | O3 | sing | 1.61Å | 1.61Å | |
C1 | C | sing | 1.53Å | 1.53Å | |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C1 | C4 | sing | 1.53Å | 1.55Å | |
N1 | C9 | sing | 1.46Å | 1.45Å | |
N1 | HN1 | sing | 0.97Å | 1.00Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C2 | H2A | sing | 1.09Å | 1.10Å | |
C2 | H2B | sing | 1.09Å | 1.10Å | |
N2 | HN2 | sing | 1.01Å | 1.00Å | |
O2 | P | doub | 1.48Å | 1.53Å | |
C3 | C1 | sing | 1.53Å | 1.54Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H3A | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | O4 | sing | 1.43Å | 1.42Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | N | sing | 1.35Å | 1.33Å | |
C5 | C4 | sing | 1.51Å | 1.55Å | |
O5 | C5 | doub | 1.21Å | 1.23Å | |
C6 | C7 | sing | 1.53Å | 1.51Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C6 | H6A | sing | 1.09Å | 1.10Å | |
O6 | C8 | doub | 1.21Å | 1.23Å | |
C7 | C8 | sing | 1.51Å | 1.51Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C7 | H7A | sing | 1.09Å | 1.10Å | |
O7 | C11 | doub | 1.21Å | 1.20Å | |
C8 | N1 | sing | 1.35Å | 1.33Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
C9 | H9A | sing | 1.09Å | 1.10Å | |
C10 | S | sing | 1.81Å | 1.81Å | |
C10 | C9 | sing | 1.53Å | 1.52Å | |
C10 | H10 | sing | 1.09Å | 1.10Å | |
C10 | H10A | sing | 1.09Å | 1.10Å | |
C11 | S | sing | 1.71Å | 1.76Å | |
C11 | C12 | sing | 1.51Å | 1.54Å | |
C12 | N2 | sing | 1.47Å | 1.45Å | |
N2 | H24 | sing | 1.01Å | 1.00Å | |
C12 | H12 | sing | 1.09Å | 1.10Å | |
C12 | H26 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
H | C | HA | 109.5° | 109.5° |
H | C | HB | 109.4° | 109.4° |
H | C | C1 | 109.5° | 109.5° |
HA | C | HB | 109.5° | 109.5° |
HA | C | C1 | 109.5° | 109.5° |
HB | C | C1 | 109.4° | 109.5° |
C6 | N | HN | 119.2° | 120.0° |
C6 | N | C5 | 121.6° | 120.0° |
N | C6 | C7 | 110.4° | 109.5° |
N | C6 | H6 | 109.2° | 109.4° |
N | C6 | H6A | 109.2° | 109.5° |
HN | N | C5 | 119.2° | 120.0° |
C3 | O | P | 127.4° | 123.0° |
O | C3 | C1 | 106.3° | 109.5° |
O | C3 | H3 | 110.3° | 109.5° |
O | C3 | H3A | 110.3° | 109.5° |
O | P | O1 | 107.2° | 109.5° |
O | P | O3 | 107.0° | 109.5° |
O | P | O2 | 108.4° | 109.4° |
O1 | P | O3 | 110.3° | 109.4° |
P | O1 | HO1 | 109.5° | 114.0° |
O1 | P | O2 | 112.0° | 109.5° |
O3 | P | O2 | 111.6° | 109.5° |
P | O3 | HO3 | 109.5° | 114.0° |
C | C1 | C2 | 108.7° | 109.5° |
C | C1 | C4 | 107.2° | 109.5° |
C | C1 | C3 | 111.7° | 109.4° |
C2 | C1 | C4 | 108.3° | 109.5° |
C1 | C2 | H2 | 109.5° | 109.5° |
C1 | C2 | H2A | 109.5° | 109.5° |
C1 | C2 | H2B | 109.5° | 109.5° |
C2 | C1 | C3 | 108.4° | 109.5° |
C4 | C1 | C3 | 112.4° | 109.5° |
C1 | C4 | O4 | 106.8° | 109.5° |
C1 | C4 | H4 | 107.3° | 109.4° |
C1 | C4 | C5 | 118.6° | 109.4° |
C9 | N1 | HN1 | 119.2° | 120.0° |
C9 | N1 | C8 | 121.6° | 120.0° |
N1 | C9 | H9 | 110.0° | 109.4° |
N1 | C9 | H9A | 110.0° | 109.5° |
N1 | C9 | C10 | 107.4° | 109.5° |
HN1 | N1 | C8 | 119.2° | 120.0° |
H2 | C2 | H2A | 109.5° | 109.4° |
H2 | C2 | H2B | 109.5° | 109.5° |
H2A | C2 | H2B | 109.4° | 109.5° |
HN2 | N2 | C12 | 109.5° | 111.0° |
HN2 | N2 | H24 | 109.5° | 111.0° |
C1 | C3 | H3 | 110.3° | 109.5° |
C1 | C3 | H3A | 110.3° | 109.4° |
H3 | C3 | H3A | 109.5° | 109.5° |
O4 | C4 | H4 | 109.0° | 109.5° |
C4 | O4 | HO4 | 109.5° | 114.0° |
O4 | C4 | C5 | 107.5° | 109.5° |
H4 | C4 | C5 | 107.4° | 109.5° |
N | C5 | C4 | 113.9° | 120.0° |
N | C5 | O5 | 122.5° | 120.0° |
C4 | C5 | O5 | 123.3° | 120.0° |
C7 | C6 | H6 | 109.2° | 109.4° |
C7 | C6 | H6A | 109.2° | 109.5° |
C6 | C7 | C8 | 111.8° | 109.5° |
C6 | C7 | H7 | 108.9° | 109.4° |
C6 | C7 | H7A | 108.9° | 109.5° |
H6 | C6 | H6A | 109.5° | 109.4° |
O6 | C8 | C7 | 121.2° | 120.0° |
O6 | C8 | N1 | 122.7° | 120.0° |
C8 | C7 | H7 | 108.9° | 109.5° |
C8 | C7 | H7A | 108.9° | 109.5° |
C7 | C8 | N1 | 116.1° | 120.0° |
H7 | C7 | H7A | 109.5° | 109.4° |
O7 | C11 | S | 122.9° | 120.0° |
O7 | C11 | C12 | 123.7° | 120.0° |
H9 | C9 | H9A | 109.4° | 109.4° |
H9 | C9 | C10 | 110.0° | 109.4° |
H9A | C9 | C10 | 110.0° | 109.5° |
S | C10 | C9 | 113.2° | 109.5° |
S | C10 | H10 | 108.5° | 109.5° |
S | C10 | H10A | 108.5° | 109.5° |
C10 | S | C11 | 101.4° | 100.0° |
C9 | C10 | H10 | 108.6° | 109.5° |
C9 | C10 | H10A | 108.5° | 109.4° |
H10 | C10 | H10A | 109.5° | 109.4° |
S | C11 | C12 | 113.3° | 120.0° |
C11 | C12 | N2 | 118.7° | 109.5° |
C11 | C12 | H12 | 107.1° | 109.4° |
C11 | C12 | H26 | 107.1° | 109.5° |
C12 | N2 | H24 | 109.5° | 111.0° |
N2 | C12 | H12 | 107.1° | 109.5° |
N2 | C12 | H26 | 107.1° | 109.5° |
H12 | C12 | H26 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
H | C | HA | HB | 120.0° | 120.0° |
H | C | HA | C1 | 120.0° | 120.0° |
H | C | HB | C1 | 120.0° | 119.9° |
H | C | C1 | C2 | 180.0° | 66.2° |
H | C | C1 | C4 | 63.1° | 53.9° |
H | C | C1 | C3 | 60.4° | 173.8° |
HA | C | HB | C1 | 120.0° | 120.1° |
HA | C | C1 | C2 | 60.0° | 173.8° |
HA | C | C1 | C4 | 176.9° | 66.1° |
HA | C | C1 | C3 | 59.6° | 53.8° |
HB | C | C1 | C2 | 60.0° | 53.7° |
HB | C | C1 | C4 | 56.8° | 173.8° |
HB | C | C1 | C3 | 179.7° | 66.2° |
C6 | N | HN | C5 | 180.0° | 179.9° |
C6 | N | C5 | C4 | 148.6° | 176.1° |
C6 | N | C5 | O5 | 25.5° | 3.8° |
N | C6 | C7 | H6 | 120.1° | 120.0° |
N | C6 | C7 | H6A | 120.1° | 120.1° |
N | C6 | H6 | H6A | 119.5° | 120.0° |
N | C6 | C7 | C8 | 75.6° | 180.0° |
N | C6 | C7 | H7 | 164.1° | 60.0° |
N | C6 | C7 | H7A | 44.8° | 59.9° |
HN | N | C5 | C4 | 31.4° | 3.8° |
HN | N | C5 | O5 | 154.5° | 176.2° |
HN | N | C6 | C7 | 87.5° | 0.1° |
HN | N | C6 | H6 | 32.7° | 120.0° |
HN | N | C6 | H6A | 152.4° | 120.0° |
C3 | O | P | O1 | 178.8° | 65.0° |
C3 | O | P | O3 | 60.5° | 175.0° |
O | C3 | C1 | C | 40.1° | 60.0° |
O | C3 | C1 | C2 | 159.9° | 60.0° |
O | C3 | C1 | C4 | 80.5° | 180.0° |
C3 | O | P | O2 | 60.1° | 55.0° |
O | C3 | C1 | H3 | 119.5° | 120.0° |
O | C3 | C1 | H3A | 119.5° | 120.0° |
O | C3 | H3 | H3A | 121.5° | 120.0° |
O | P | O1 | O3 | 116.2° | 120.0° |
O | P | O1 | O2 | 118.8° | 120.0° |
O | P | O3 | O2 | 118.5° | 120.0° |
O | P | O1 | HO1 | 118.8° | 60.0° |
P | O | C3 | C1 | 121.1° | 180.0° |
P | O | C3 | H3 | 1.6° | 60.0° |
P | O | C3 | H3A | 119.4° | 60.0° |
O | P | O3 | HO3 | 118.5° | 180.0° |
O1 | P | O3 | O2 | 125.2° | 120.0° |
O1 | P | O3 | HO3 | 125.2° | 60.0° |
O3 | P | O1 | HO1 | 125.0° | 60.1° |
C | C1 | C2 | C4 | 116.2° | 120.0° |
C | C1 | C2 | C3 | 121.7° | 120.0° |
C | C1 | C4 | C3 | 123.1° | 119.9° |
C | C1 | C2 | H2 | 180.0° | 53.1° |
C | C1 | C2 | H2A | 60.0° | 173.0° |
C | C1 | C2 | H2B | 60.0° | 67.0° |
C | C1 | C3 | H3 | 79.4° | 180.0° |
C | C1 | C3 | H3A | 159.6° | 60.0° |
C | C1 | C4 | O4 | 0.9° | 59.3° |
C | C1 | C4 | H4 | 115.9° | 60.7° |
C | C1 | C4 | C5 | 122.4° | 179.3° |
C2 | C1 | C4 | C3 | 119.8° | 120.0° |
C1 | C2 | H2 | H2A | 120.0° | 120.0° |
C1 | C2 | H2 | H2B | 120.0° | 120.0° |
C1 | C2 | H2A | H2B | 120.0° | 120.0° |
C2 | C1 | C3 | H3 | 40.4° | 60.0° |
C2 | C1 | C3 | H3A | 80.6° | 180.0° |
C2 | C1 | C4 | O4 | 118.0° | 179.3° |
C2 | C1 | C4 | H4 | 1.3° | 59.3° |
C2 | C1 | C4 | C5 | 120.5° | 60.7° |
C4 | C1 | C2 | H2 | 63.8° | 173.1° |
C4 | C1 | C2 | H2A | 56.2° | 67.0° |
C4 | C1 | C2 | H2B | 176.1° | 53.1° |
C4 | C1 | C3 | H3 | 160.0° | 60.0° |
C4 | C1 | C3 | H3A | 39.1° | 59.9° |
C1 | C4 | O4 | H4 | 115.7° | 120.0° |
C1 | C4 | O4 | C5 | 128.3° | 119.9° |
C1 | C4 | H4 | C5 | 128.5° | 119.9° |
C1 | C4 | O4 | HO4 | 180.0° | 60.0° |
C1 | C4 | C5 | N | 135.6° | 69.6° |
C1 | C4 | C5 | O5 | 50.3° | 110.5° |
C9 | N1 | HN1 | C8 | 180.0° | 179.9° |
C9 | N1 | C8 | O6 | 26.4° | 0.0° |
C9 | N1 | C8 | C7 | 150.3° | 180.0° |
N1 | C9 | H9 | H9A | 121.0° | 120.0° |
N1 | C9 | H9 | C10 | 118.1° | 120.0° |
N1 | C9 | H9A | C10 | 118.1° | 120.1° |
N1 | C9 | C10 | S | 172.4° | 180.0° |
N1 | C9 | C10 | H10 | 51.8° | 59.9° |
N1 | C9 | C10 | H10A | 67.1° | 60.0° |
HN1 | N1 | C8 | O6 | 153.6° | 180.0° |
HN1 | N1 | C8 | C7 | 29.7° | 0.1° |
HN1 | N1 | C9 | H9 | 0.6° | 120.0° |
HN1 | N1 | C9 | H9A | 120.0° | 120.0° |
HN1 | N1 | C9 | C10 | 120.3° | 0.1° |
HO1 | O1 | P | O2 | 0.0° | 180.0° |
H2 | C2 | H2A | H2B | 120.0° | 120.0° |
H2 | C2 | C1 | C3 | 58.4° | 66.9° |
H2A | C2 | C1 | C3 | 178.4° | 53.1° |
H2B | C2 | C1 | C3 | 61.7° | 173.1° |
HN2 | N2 | C12 | C11 | 180.0° | 179.9° |
HN2 | N2 | C12 | H24 | 120.0° | 123.9° |
HN2 | N2 | C12 | H12 | 58.7° | 60.0° |
HN2 | N2 | C12 | H26 | 58.7° | 60.0° |
O2 | P | O3 | HO3 | 0.0° | 60.0° |
C1 | C3 | H3 | H3A | 121.5° | 120.0° |
C3 | C1 | C4 | O4 | 122.2° | 60.6° |
C3 | C1 | C4 | H4 | 121.0° | 179.3° |
C3 | C1 | C4 | C5 | 0.7° | 59.4° |
O4 | C4 | H4 | C5 | 116.2° | 120.1° |
O4 | C4 | C5 | N | 103.3° | 170.4° |
O4 | C4 | C5 | O5 | 70.8° | 9.5° |
H4 | C4 | O4 | HO4 | 64.3° | 180.0° |
H4 | C4 | C5 | N | 13.8° | 50.3° |
H4 | C4 | C5 | O5 | 172.1° | 129.6° |
HO4 | O4 | C4 | C5 | 51.7° | 59.9° |
N | C5 | C4 | O5 | 174.1° | 179.9° |
C5 | N | C6 | C7 | 92.5° | 180.0° |
C5 | N | C6 | H6 | 147.3° | 60.0° |
C5 | N | C6 | H6A | 27.6° | 59.9° |
C7 | C6 | H6 | H6A | 119.6° | 120.0° |
C6 | C7 | C8 | O6 | 18.4° | 0.0° |
C6 | C7 | C8 | H7 | 120.4° | 120.0° |
C6 | C7 | C8 | H7A | 120.4° | 120.1° |
C6 | C7 | H7 | H7A | 119.0° | 120.0° |
C6 | C7 | C8 | N1 | 164.9° | 180.0° |
H6 | C6 | C7 | C8 | 44.6° | 60.0° |
H6 | C6 | C7 | H7 | 75.8° | 180.0° |
H6 | C6 | C7 | H7A | 164.9° | 60.0° |
H6A | C6 | C7 | C8 | 164.3° | 59.9° |
H6A | C6 | C7 | H7 | 44.0° | 60.0° |
H6A | C6 | C7 | H7A | 75.3° | 180.0° |
O6 | C8 | C7 | N1 | 176.7° | 180.0° |
O6 | C8 | C7 | H7 | 102.0° | 120.0° |
O6 | C8 | C7 | H7A | 138.8° | 120.0° |
C8 | C7 | H7 | H7A | 118.9° | 120.0° |
H7 | C7 | C8 | N1 | 74.8° | 60.0° |
H7A | C7 | C8 | N1 | 44.5° | 59.9° |
O7 | C11 | S | C10 | 15.0° | 0.0° |
O7 | C11 | S | C12 | 179.5° | 179.9° |
O7 | C11 | C12 | N2 | 101.4° | 0.0° |
O7 | C11 | C12 | H12 | 19.9° | 120.0° |
O7 | C11 | C12 | H26 | 137.3° | 120.0° |
C8 | N1 | C9 | H9 | 179.3° | 60.0° |
C8 | N1 | C9 | H9A | 60.0° | 59.9° |
C8 | N1 | C9 | C10 | 59.6° | 180.0° |
H9 | C9 | H9A | C10 | 120.9° | 120.0° |
H9 | C9 | C10 | S | 52.6° | 60.0° |
H9 | C9 | C10 | H10 | 67.9° | 60.1° |
H9 | C9 | C10 | H10A | 173.2° | 180.0° |
H9A | C9 | C10 | S | 68.0° | 60.0° |
H9A | C9 | C10 | H10 | 171.5° | 180.0° |
H9A | C9 | C10 | H10A | 52.6° | 60.0° |
S | C10 | C9 | H10 | 120.6° | 120.1° |
S | C10 | C9 | H10A | 120.5° | 120.0° |
S | C10 | H10 | H10A | 118.3° | 120.0° |
C10 | S | C11 | C12 | 164.5° | 180.0° |
C9 | C10 | H10 | H10A | 118.3° | 119.9° |
C9 | C10 | S | C11 | 110.0° | 180.0° |
H10 | C10 | S | C11 | 129.5° | 60.0° |
H10A | C10 | S | C11 | 10.6° | 60.0° |
S | C11 | C12 | N2 | 79.1° | 180.0° |
S | C11 | C12 | H12 | 159.6° | 60.0° |
S | C11 | C12 | H26 | 42.2° | 60.0° |
C11 | C12 | N2 | H12 | 121.3° | 120.0° |
C11 | C12 | N2 | H26 | 121.3° | 120.1° |
C11 | C12 | N2 | H24 | 60.0° | 56.0° |
C11 | C12 | H12 | H26 | 115.8° | 120.0° |
N2 | C12 | H12 | H26 | 115.8° | 120.0° |
H24 | N2 | C12 | H12 | 178.7° | 63.9° |
H24 | N2 | C12 | H26 | 61.4° | 176.1° |