A8C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | S | sing | 1.81Å | 1.69Å | |
| S | C2 | sing | 1.81Å | 1.65Å | |
| C2 | C3 | sing | 1.53Å | 1.47Å | |
| C3 | C | sing | 1.51Å | 1.49Å | |
| C | O1 | doub | 1.21Å | 1.26Å | |
| C | O | sing | 1.34Å | 1.25Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| O | H6 | sing | 0.97Å | 0.95Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | S | C2 | 120.3° | 103.0° |
| S | C1 | H1 | 109.5° | 109.5° |
| S | C1 | H2 | 109.5° | 109.4° |
| S | C1 | H3 | 109.5° | 109.4° |
| S | C2 | C3 | 121.7° | 109.5° |
| S | C2 | H4 | 106.3° | 109.5° |
| S | C2 | H7 | 106.4° | 109.5° |
| C2 | C3 | C | 118.4° | 109.4° |
| C3 | C2 | H4 | 106.4° | 109.4° |
| C2 | C3 | H5 | 107.2° | 109.4° |
| C3 | C2 | H7 | 106.3° | 109.4° |
| C2 | C3 | H8 | 107.2° | 109.4° |
| C3 | C | O1 | 120.5° | 120.0° |
| C3 | C | O | 120.8° | 120.0° |
| C | C3 | H5 | 107.2° | 109.5° |
| C | C3 | H8 | 107.2° | 109.5° |
| O1 | C | O | 118.7° | 119.9° |
| C | O | H6 | 109.5° | 117.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H4 | C2 | H7 | 109.4° | 109.5° |
| H5 | C3 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | S | C2 | C3 | 51.4° | 180.0° |
| S | C1 | H1 | H2 | 120.0° | 120.0° |
| S | C1 | H1 | H3 | 120.0° | 120.0° |
| S | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | S | C2 | H4 | 70.3° | 60.0° |
| C1 | S | C2 | H7 | 173.1° | 60.0° |
| S | C2 | C3 | H4 | 121.7° | 120.0° |
| S | C2 | C3 | H7 | 121.7° | 120.0° |
| S | C2 | C3 | C | 167.9° | 180.0° |
| C2 | S | C1 | H1 | 180.0° | 60.0° |
| C2 | S | C1 | H2 | 60.0° | 60.0° |
| C2 | S | C1 | H3 | 60.0° | 180.0° |
| S | C2 | H4 | H7 | 114.5° | 120.0° |
| S | C2 | C3 | H5 | 46.6° | 60.0° |
| S | C2 | C3 | H8 | 70.8° | 60.0° |
| C2 | C3 | C | H5 | 121.3° | 120.0° |
| C2 | C3 | C | H8 | 121.3° | 120.0° |
| C2 | C3 | C | O1 | 22.3° | 0.0° |
| C2 | C3 | C | O | 157.7° | 180.0° |
| C3 | C2 | H4 | H7 | 114.5° | 120.0° |
| C2 | C3 | H5 | H8 | 115.9° | 120.0° |
| C3 | C | O1 | O | 180.0° | 180.0° |
| C | C3 | C2 | H4 | 70.4° | 60.0° |
| C | C3 | H5 | H8 | 116.0° | 120.1° |
| C3 | C | O | H6 | 180.0° | 180.0° |
| C | C3 | C2 | H7 | 46.2° | 60.0° |
| O1 | C | C3 | H5 | 143.5° | 120.0° |
| O1 | C | O | H6 | 0.0° | 0.0° |
| O1 | C | C3 | H8 | 99.0° | 120.0° |
| O | C | C3 | H5 | 36.4° | 60.0° |
| O | C | C3 | H8 | 81.0° | 60.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C2 | C3 | H5 | 168.3° | 180.0° |
| H4 | C2 | C3 | H8 | 50.9° | 60.0° |
| H5 | C3 | C2 | H7 | 75.1° | 60.0° |
| H7 | C2 | C3 | H8 | 167.5° | 180.0° |
