8N5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S | C6 | sing | 1.82Å | 1.81Å | |
| S | C7 | sing | 1.76Å | 1.74Å | |
| C6 | C4 | sing | 1.51Å | 1.50Å | |
| O | C9 | doub | 1.22Å | 1.24Å | |
| C7 | C9 | sing | 1.40Å | 1.46Å | |
| C7 | C8 | doub | 1.37Å | 1.38Å | |
| C9 | N1 | sing | 1.35Å | 1.36Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | C | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C3 | sing | 1.47Å | 1.45Å | |
| C8 | N | sing | 1.37Å | 1.35Å | |
| N1 | N | sing | 1.40Å | 1.39Å | |
| C3 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C | C1 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C2 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.08Å | 1.08Å | |
| C | H8 | sing | 1.08Å | 1.08Å | |
| N | H5 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | S | C7 | 102.9° | 101.3° |
| S | C6 | C4 | 116.9° | 111.2° |
| S | C6 | H2 | 107.6° | 109.2° |
| S | C6 | H3 | 107.6° | 109.1° |
| S | C7 | C9 | 131.4° | 129.7° |
| S | C7 | C8 | 120.1° | 121.8° |
| C6 | C4 | C5 | 117.1° | 117.6° |
| C6 | C4 | C3 | 124.1° | 123.5° |
| C4 | C6 | H2 | 107.6° | 109.1° |
| C4 | C6 | H3 | 107.6° | 109.1° |
| O | C9 | C7 | 132.4° | 126.2° |
| O | C9 | N1 | 123.4° | 126.2° |
| C9 | C7 | C8 | 108.4° | 108.5° |
| C7 | C9 | N1 | 104.2° | 107.6° |
| C7 | C8 | C3 | 129.7° | 122.7° |
| C7 | C8 | N | 107.9° | 107.6° |
| C9 | N1 | N | 110.6° | 108.3° |
| C9 | N1 | H4 | 124.7° | 125.8° |
| C5 | C4 | C3 | 118.7° | 118.9° |
| C4 | C5 | C | 121.0° | 120.8° |
| C4 | C5 | H1 | 119.5° | 119.5° |
| C4 | C3 | C8 | 118.2° | 121.4° |
| C4 | C3 | C2 | 119.5° | 120.0° |
| C5 | C | C1 | 120.0° | 120.3° |
| C | C5 | H1 | 119.5° | 119.7° |
| C5 | C | H8 | 120.0° | 119.8° |
| C3 | C8 | N | 122.2° | 129.7° |
| C8 | C3 | C2 | 122.3° | 118.7° |
| C8 | N | N1 | 108.9° | 108.0° |
| C8 | N | H5 | 109.6° | 126.0° |
| N | N1 | H4 | 124.7° | 125.9° |
| N1 | N | H5 | 109.6° | 126.0° |
| C3 | C2 | C1 | 120.6° | 120.2° |
| C3 | C2 | H6 | 119.7° | 119.9° |
| C | C1 | C2 | 120.2° | 119.7° |
| C | C1 | H7 | 119.9° | 120.1° |
| C1 | C | H8 | 120.0° | 119.9° |
| C1 | C2 | H6 | 119.7° | 119.9° |
| C2 | C1 | H7 | 119.9° | 120.1° |
| H2 | C6 | H3 | 109.4° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S | C6 | C4 | H2 | 121.1° | 120.5° |
| S | C6 | C4 | H3 | 121.1° | 120.3° |
| C6 | S | C7 | C9 | 164.1° | 150.7° |
| C6 | S | C7 | C8 | 18.6° | 28.8° |
| S | C6 | C4 | C5 | 156.9° | 144.2° |
| S | C6 | C4 | C3 | 26.5° | 37.2° |
| S | C6 | H2 | H3 | 116.6° | 119.1° |
| C7 | S | C6 | C4 | 30.8° | 44.6° |
| S | C7 | C9 | O | 1.9° | 0.9° |
| S | C7 | C9 | C8 | 177.6° | 179.5° |
| S | C7 | C9 | N1 | 177.2° | 179.2° |
| S | C7 | C8 | C3 | 1.7° | 1.1° |
| S | C7 | C8 | N | 177.4° | 179.1° |
| C7 | S | C6 | H2 | 90.2° | 75.8° |
| C7 | S | C6 | H3 | 151.9° | 165.0° |
| C6 | C4 | C5 | C3 | 176.8° | 178.7° |
| C6 | C4 | C5 | C | 176.4° | 177.7° |
| C6 | C4 | C3 | C8 | 3.5° | 3.3° |
| C6 | C4 | C3 | C2 | 175.2° | 177.2° |
| C6 | C4 | C5 | H1 | 3.5° | 2.2° |
| C4 | C6 | H2 | H3 | 116.6° | 119.2° |
| O | C9 | C7 | N1 | 179.1° | 179.9° |
| O | C9 | C7 | C8 | 179.5° | 179.5° |
| O | C9 | N1 | N | 179.3° | 179.9° |
| O | C9 | N1 | H4 | 0.7° | 0.2° |
| C9 | C7 | C8 | C3 | 176.2° | 179.3° |
| C9 | C7 | C8 | N | 0.6° | 0.5° |
| C7 | C9 | N1 | N | 0.0° | 0.0° |
| C7 | C9 | N1 | H4 | 179.9° | 179.9° |
| C8 | C7 | C9 | N1 | 0.4° | 0.3° |
| C7 | C8 | C3 | C4 | 12.8° | 19.2° |
| C7 | C8 | C3 | N | 175.1° | 179.8° |
| C7 | C8 | N | N1 | 0.5° | 0.5° |
| C7 | C8 | C3 | C2 | 168.6° | 160.3° |
| C7 | C8 | N | H5 | 120.4° | 179.4° |
| C9 | N1 | N | C8 | 0.3° | 0.3° |
| C9 | N1 | N | H4 | 180.0° | 179.9° |
| C9 | N1 | N | H5 | 120.2° | 179.6° |
| C4 | C5 | C | H1 | 180.0° | 180.0° |
| C5 | C4 | C3 | C8 | 179.9° | 178.1° |
| C5 | C4 | C3 | C2 | 1.4° | 1.3° |
| C4 | C5 | C | C1 | 0.6° | 0.0° |
| C5 | C4 | C6 | H2 | 82.0° | 95.4° |
| C5 | C4 | C6 | H3 | 35.8° | 23.8° |
| C4 | C5 | C | H8 | 179.4° | 180.0° |
| C3 | C4 | C5 | C | 0.3° | 0.9° |
| C4 | C3 | C8 | C2 | 178.6° | 179.5° |
| C4 | C3 | C8 | N | 172.1° | 161.0° |
| C4 | C3 | C2 | C1 | 1.5° | 0.9° |
| C3 | C4 | C5 | H1 | 179.7° | 179.1° |
| C3 | C4 | C6 | H2 | 94.6° | 83.2° |
| C3 | C4 | C6 | H3 | 147.6° | 157.6° |
| C4 | C3 | C2 | H6 | 178.5° | 179.1° |
| C5 | C | C1 | H8 | 180.0° | 180.0° |
| C5 | C | C1 | C2 | 0.5° | 0.5° |
| C5 | C | C1 | H7 | 179.5° | 179.5° |
| C3 | C8 | N | N1 | 176.6° | 179.3° |
| C8 | C3 | C2 | C1 | 179.9° | 178.6° |
| C8 | C3 | C2 | H6 | 0.1° | 1.4° |
| C3 | C8 | N | H5 | 63.5° | 0.7° |
| C8 | N | N1 | H5 | 119.9° | 179.9° |
| N | C8 | C3 | C2 | 6.5° | 19.5° |
| C8 | N | N1 | H4 | 179.7° | 179.8° |
| C3 | C2 | C1 | C | 0.6° | 0.1° |
| C3 | C2 | C1 | H6 | 180.0° | 180.0° |
| C3 | C2 | C1 | H7 | 179.4° | 180.0° |
| C | C1 | C2 | H7 | 180.0° | 179.9° |
| C1 | C | C5 | H1 | 179.4° | 180.0° |
| C | C1 | C2 | H6 | 179.5° | 179.9° |
| C2 | C1 | C | H8 | 179.5° | 179.4° |
| H1 | C5 | C | H8 | 0.6° | 0.1° |
| H4 | N1 | N | H5 | 59.8° | 0.3° |
| H6 | C2 | C1 | H7 | 0.5° | 0.0° |
| H7 | C1 | C | H8 | 0.5° | 0.5° |
