OD3
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C3 | doub | 1.21Å | 1.22Å | |
N1 | C3 | sing | 1.32Å | 1.37Å | |
N1 | C1 | sing | 1.33Å | 1.35Å | |
C3 | C2 | sing | 1.51Å | 1.51Å | |
C1 | O1 | doub | 1.22Å | 1.21Å | |
C1 | S1 | sing | 1.77Å | 1.76Å | |
C2 | S1 | sing | 1.82Å | 1.81Å | |
C2 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
N1 | H3 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C3 | N1 | 124.3° | 123.1° |
O2 | C3 | C2 | 125.9° | 123.1° |
C3 | N1 | C1 | 114.7° | 121.2° |
N1 | C3 | C2 | 109.8° | 113.8° |
C3 | N1 | H3 | 122.7° | 119.4° |
N1 | C1 | O1 | 124.8° | 126.1° |
N1 | C1 | S1 | 109.7° | 107.7° |
C1 | N1 | H3 | 122.6° | 119.4° |
C3 | C2 | S1 | 107.0° | 103.0° |
C3 | C2 | H1 | 110.1° | 110.7° |
C3 | C2 | H2 | 110.1° | 110.8° |
O1 | C1 | S1 | 125.4° | 126.2° |
C1 | S1 | C2 | 90.3° | 94.3° |
S1 | C2 | H1 | 110.1° | 110.7° |
S1 | C2 | H2 | 110.1° | 110.7° |
H1 | C2 | H2 | 109.5° | 110.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C3 | N1 | C2 | 178.3° | 179.7° |
O2 | C3 | N1 | C1 | 155.7° | 179.8° |
O2 | C3 | C2 | S1 | 174.1° | 180.0° |
O2 | C3 | C2 | H1 | 66.3° | 61.7° |
O2 | C3 | C2 | H2 | 54.5° | 61.5° |
O2 | C3 | N1 | H3 | 24.3° | 0.3° |
C3 | N1 | C1 | H3 | 180.0° | 179.5° |
C3 | N1 | C1 | O1 | 148.1° | 179.7° |
C3 | N1 | C1 | S1 | 32.6° | 0.5° |
N1 | C3 | C2 | S1 | 7.7° | 0.3° |
N1 | C3 | C2 | H1 | 112.0° | 118.6° |
N1 | C3 | C2 | H2 | 127.3° | 118.2° |
C1 | N1 | C3 | C2 | 26.0° | 0.5° |
N1 | C1 | O1 | S1 | 179.2° | 179.8° |
N1 | C1 | S1 | C2 | 22.2° | 0.2° |
C3 | C2 | S1 | C1 | 7.9° | 0.0° |
C3 | C2 | S1 | H1 | 119.6° | 118.4° |
C3 | C2 | S1 | H2 | 119.6° | 118.6° |
C3 | C2 | H1 | H2 | 121.1° | 123.3° |
C2 | C3 | N1 | H3 | 153.9° | 180.0° |
O1 | C1 | S1 | C2 | 158.5° | 180.0° |
O1 | C1 | N1 | H3 | 31.9° | 0.2° |
C1 | S1 | C2 | H1 | 127.5° | 118.4° |
C1 | S1 | C2 | H2 | 111.7° | 118.5° |
S1 | C1 | N1 | H3 | 147.4° | 180.0° |
S1 | C2 | H1 | H2 | 121.1° | 123.1° |