NAS
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
S | O1S | doub | 1.42Å | 1.46Å | |
S | O2S | doub | 1.42Å | 1.46Å | |
S | O3S | sing | 1.52Å | 1.80Å | |
S | C2 | sing | 1.76Å | 1.78Å | |
O3S | HOS3 | sing | 0.97Å | 0.95Å | |
C1 | C2 | doub | 1.36Å | 1.39Å | Aromatic |
C1 | C9 | sing | 1.41Å | 1.41Å | Aromatic |
C1 | H1 | sing | 1.08Å | 1.10Å | |
C2 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
C3 | C4 | doub | 1.36Å | 1.38Å | Aromatic |
C3 | H3 | sing | 1.08Å | 1.10Å | |
C4 | C10 | sing | 1.41Å | 1.39Å | Aromatic |
C4 | H4 | sing | 1.08Å | 1.10Å | |
C5 | C6 | doub | 1.36Å | 1.38Å | Aromatic |
C5 | C10 | sing | 1.41Å | 1.40Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.10Å | |
C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
C6 | H6 | sing | 1.08Å | 1.10Å | |
C7 | C8 | doub | 1.36Å | 1.40Å | Aromatic |
C7 | H7 | sing | 1.08Å | 1.10Å | |
C8 | C9 | sing | 1.41Å | 1.40Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
C9 | C10 | doub | 1.42Å | 1.43Å | Aromatic |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1S | S | O2S | 111.0° | 125.3° |
O1S | S | O3S | 104.2° | 105.7° |
O1S | S | C2 | 108.2° | 105.8° |
O2S | S | O3S | 111.2° | 105.8° |
O2S | S | C2 | 109.5° | 105.7° |
O3S | S | C2 | 112.7° | 107.4° |
S | O3S | HOS3 | 104.2° | 106.8° |
S | C2 | C1 | 121.4° | 119.5° |
S | C2 | C3 | 119.2° | 119.5° |
C2 | C1 | C9 | 119.9° | 119.7° |
C2 | C1 | H1 | 119.6° | 120.2° |
C1 | C2 | C3 | 119.4° | 121.0° |
C9 | C1 | H1 | 120.5° | 120.1° |
C1 | C9 | C8 | 120.9° | 121.3° |
C1 | C9 | C10 | 119.5° | 119.4° |
C2 | C3 | C4 | 122.2° | 121.0° |
C2 | C3 | H3 | 119.1° | 119.5° |
C4 | C3 | H3 | 118.7° | 119.5° |
C3 | C4 | C10 | 119.4° | 119.6° |
C3 | C4 | H4 | 119.9° | 120.2° |
C10 | C4 | H4 | 120.7° | 120.1° |
C4 | C10 | C5 | 120.4° | 121.3° |
C4 | C10 | C9 | 119.6° | 119.4° |
C6 | C5 | C10 | 119.3° | 119.6° |
C6 | C5 | H5 | 119.5° | 120.2° |
C5 | C6 | C7 | 120.8° | 121.0° |
C5 | C6 | H6 | 119.3° | 119.5° |
C10 | C5 | H5 | 121.2° | 120.1° |
C5 | C10 | C9 | 120.0° | 119.4° |
C7 | C6 | H6 | 119.9° | 119.6° |
C6 | C7 | C8 | 121.0° | 121.0° |
C6 | C7 | H7 | 119.2° | 119.4° |
C8 | C7 | H7 | 119.7° | 119.5° |
C7 | C8 | C9 | 119.2° | 119.6° |
C7 | C8 | H8 | 120.4° | 120.2° |
C9 | C8 | H8 | 120.3° | 120.2° |
C8 | C9 | C10 | 119.6° | 119.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1S | S | O2S | O3S | 115.4° | 123.1° |
O1S | S | O2S | C2 | 119.4° | 123.2° |
O1S | S | O3S | C2 | 117.0° | 112.6° |
O1S | S | O3S | HOS3 | 180.0° | 67.4° |
O1S | S | C2 | C1 | 176.0° | 157.1° |
O1S | S | C2 | C3 | 3.7° | 22.6° |
O2S | S | O3S | C2 | 123.4° | 112.6° |
O2S | S | O3S | HOS3 | 60.4° | 67.4° |
O2S | S | C2 | C1 | 55.0° | 22.4° |
O2S | S | C2 | C3 | 124.7° | 157.4° |
O3S | S | C2 | C1 | 69.4° | 90.3° |
O3S | S | C2 | C3 | 110.9° | 90.0° |
C2 | S | O3S | HOS3 | 63.0° | 180.0° |
S | C2 | C1 | C3 | 179.7° | 179.7° |
S | C2 | C1 | C9 | 179.7° | 179.7° |
S | C2 | C1 | H1 | 0.4° | 0.1° |
S | C2 | C3 | C4 | 179.5° | 180.0° |
S | C2 | C3 | H3 | 0.5° | 0.0° |
C2 | C1 | C9 | H1 | 179.9° | 179.8° |
C1 | C2 | C3 | C4 | 0.2° | 0.2° |
C1 | C2 | C3 | H3 | 179.7° | 179.7° |
C2 | C1 | C9 | C8 | 179.8° | 179.8° |
C2 | C1 | C9 | C10 | 0.2° | 0.6° |
C9 | C1 | C2 | C3 | 0.0° | 0.5° |
C1 | C9 | C10 | C4 | 0.3° | 0.4° |
C1 | C9 | C10 | C5 | 179.3° | 179.7° |
C1 | C9 | C8 | C7 | 179.1° | 179.6° |
C1 | C9 | C8 | C10 | 179.6° | 179.6° |
C1 | C9 | C8 | H8 | 0.9° | 0.3° |
H1 | C1 | C2 | C3 | 179.9° | 179.7° |
H1 | C1 | C9 | C8 | 0.3° | 0.0° |
H1 | C1 | C9 | C10 | 179.8° | 179.6° |
C2 | C3 | C4 | H3 | 180.0° | 180.0° |
C2 | C3 | C4 | C10 | 0.1° | 0.0° |
C2 | C3 | C4 | H4 | 179.9° | 180.0° |
C3 | C4 | C10 | H4 | 180.0° | 180.0° |
C3 | C4 | C10 | C5 | 179.5° | 180.0° |
C3 | C4 | C10 | C9 | 0.1° | 0.1° |
H3 | C3 | C4 | C10 | 179.8° | 180.0° |
H3 | C3 | C4 | H4 | 0.1° | 0.0° |
C4 | C10 | C5 | C6 | 179.6° | 180.0° |
C4 | C10 | C5 | C9 | 179.6° | 179.9° |
C4 | C10 | C5 | H5 | 0.4° | 0.0° |
C4 | C10 | C9 | C8 | 179.9° | 180.0° |
H4 | C4 | C10 | C5 | 0.5° | 0.0° |
H4 | C4 | C10 | C9 | 179.8° | 179.9° |
C6 | C5 | C10 | H5 | 180.0° | 180.0° |
C5 | C6 | C7 | H6 | 180.0° | 180.0° |
C5 | C6 | C7 | C8 | 0.1° | 0.1° |
C5 | C6 | C7 | H7 | 180.0° | 180.0° |
C6 | C5 | C10 | C9 | 0.0° | 0.1° |
C10 | C5 | C6 | C7 | 0.1° | 0.0° |
C10 | C5 | C6 | H6 | 179.9° | 180.0° |
C5 | C10 | C9 | C8 | 0.3° | 0.1° |
H5 | C5 | C6 | C7 | 179.9° | 180.0° |
H5 | C5 | C6 | H6 | 0.1° | 0.0° |
H5 | C5 | C10 | C9 | 180.0° | 179.9° |
C6 | C7 | C8 | H7 | 180.0° | 179.9° |
C6 | C7 | C8 | C9 | 0.3° | 0.1° |
C6 | C7 | C8 | H8 | 179.6° | 180.0° |
H6 | C6 | C7 | C8 | 179.9° | 179.9° |
H6 | C6 | C7 | H7 | 0.0° | 0.0° |
C7 | C8 | C9 | H8 | 179.9° | 180.0° |
C7 | C8 | C9 | C10 | 0.4° | 0.0° |
H7 | C7 | C8 | C9 | 179.7° | 180.0° |
H7 | C7 | C8 | H8 | 0.4° | 0.1° |
H8 | C8 | C9 | C10 | 179.5° | 179.9° |