N2M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S | O1S | sing | 1.63Å | 1.77Å | |
| S | O2S | doub | 1.46Å | 1.73Å | |
| S | O3S | doub | 1.45Å | 1.76Å | |
| S | C2 | sing | 1.75Å | 1.76Å | |
| O1S | H1S | sing | 0.99Å | 0.95Å | |
| C1 | C2 | sing | 1.39Å | 1.35Å | Aromatic |
| C1 | C9 | doub | 1.40Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.06Å | |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.45Å | Aromatic |
| C3 | H3 | sing | 1.09Å | 1.06Å | |
| C4 | C10 | doub | 1.40Å | 1.33Å | Aromatic |
| C4 | H4 | sing | 1.09Å | 1.06Å | |
| C5 | C6 | doub | 1.40Å | 1.35Å | Aromatic |
| C5 | C10 | sing | 1.40Å | 1.43Å | Aromatic |
| C5 | N | sing | 1.42Å | 1.79Å | |
| C6 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.09Å | 1.06Å | |
| C7 | C8 | doub | 1.39Å | 1.45Å | Aromatic |
| C7 | H7 | sing | 1.09Å | 1.06Å | |
| C8 | C9 | sing | 1.40Å | 1.41Å | Aromatic |
| C8 | H8 | sing | 1.09Å | 1.06Å | |
| C9 | C10 | sing | 1.42Å | 1.44Å | Aromatic |
| N | HN1 | sing | 1.00Å | 0.99Å | |
| N | HN2 | sing | 1.00Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1S | S | O2S | 103.7° | 107.0° |
| O1S | S | O3S | 101.9° | 108.1° |
| O1S | S | C2 | 126.3° | 105.2° |
| S | O1S | H1S | 103.7° | 115.3° |
| O2S | S | O3S | 104.7° | 120.6° |
| O2S | S | C2 | 110.9° | 108.0° |
| O3S | S | C2 | 107.2° | 106.9° |
| S | C2 | C1 | 120.2° | 119.9° |
| S | C2 | C3 | 121.9° | 120.0° |
| C2 | C1 | C9 | 122.7° | 120.7° |
| C2 | C1 | H1 | 118.7° | 119.5° |
| C1 | C2 | C3 | 117.9° | 120.1° |
| C9 | C1 | H1 | 118.7° | 119.9° |
| C1 | C9 | C8 | 124.5° | 121.5° |
| C1 | C9 | C10 | 119.3° | 119.3° |
| C2 | C3 | C4 | 121.4° | 120.0° |
| C2 | C3 | H3 | 119.3° | 120.6° |
| C4 | C3 | H3 | 119.3° | 119.4° |
| C3 | C4 | C10 | 120.3° | 120.7° |
| C3 | C4 | H4 | 119.8° | 117.8° |
| C10 | C4 | H4 | 119.9° | 121.6° |
| C4 | C10 | C5 | 121.6° | 121.4° |
| C4 | C10 | C9 | 118.5° | 119.3° |
| C6 | C5 | C10 | 123.0° | 120.7° |
| C6 | C5 | N | 119.8° | 117.8° |
| C5 | C6 | C7 | 119.4° | 120.0° |
| C5 | C6 | H6 | 120.3° | 120.7° |
| C10 | C5 | N | 117.2° | 121.6° |
| C5 | C10 | C9 | 119.9° | 119.3° |
| C5 | N | HN1 | 120.0° | 118.9° |
| C5 | N | HN2 | 120.0° | 118.8° |
| C7 | C6 | H6 | 120.3° | 119.3° |
| C6 | C7 | C8 | 119.6° | 120.0° |
| C6 | C7 | H7 | 120.2° | 120.0° |
| C8 | C7 | H7 | 120.2° | 120.0° |
| C7 | C8 | C9 | 121.9° | 120.7° |
| C7 | C8 | H8 | 119.1° | 118.8° |
| C9 | C8 | H8 | 119.0° | 120.5° |
| C8 | C9 | C10 | 116.2° | 119.3° |
| HN1 | N | HN2 | 120.0° | 122.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1S | S | O2S | O3S | 106.5° | 123.9° |
| O1S | S | O2S | C2 | 138.2° | 112.8° |
| O1S | S | O3S | C2 | 134.3° | 112.8° |
| O1S | S | C2 | C1 | 12.9° | 90.0° |
| O1S | S | C2 | C3 | 167.1° | 90.0° |
| O2S | S | O3S | C2 | 117.9° | 123.8° |
| O2S | S | O1S | H1S | 180.0° | 50.9° |
| O2S | S | C2 | C1 | 139.4° | 24.0° |
| O2S | S | C2 | C3 | 40.6° | 156.0° |
| O3S | S | O1S | H1S | 71.5° | 177.8° |
| O3S | S | C2 | C1 | 106.8° | 155.2° |
| O3S | S | C2 | C3 | 73.2° | 24.8° |
| C2 | S | O1S | H1S | 50.6° | 63.9° |
| S | C2 | C1 | C3 | 180.0° | 180.0° |
| S | C2 | C1 | C9 | 179.9° | 180.0° |
| S | C2 | C1 | H1 | 0.1° | 0.0° |
| S | C2 | C3 | C4 | 179.9° | 180.0° |
| S | C2 | C3 | H3 | 0.1° | 0.1° |
| C2 | C1 | C9 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C1 | C2 | C3 | H3 | 179.9° | 180.0° |
| C2 | C1 | C9 | C8 | 179.9° | 180.0° |
| C2 | C1 | C9 | C10 | 0.0° | 0.0° |
| C9 | C1 | C2 | C3 | 0.1° | 0.0° |
| C1 | C9 | C10 | C4 | 0.1° | 0.1° |
| C1 | C9 | C10 | C5 | 179.9° | 180.0° |
| C1 | C9 | C8 | C7 | 179.9° | 180.0° |
| C1 | C9 | C8 | C10 | 180.0° | 179.9° |
| C1 | C9 | C8 | H8 | 0.1° | 0.2° |
| H1 | C1 | C2 | C3 | 179.9° | 179.9° |
| H1 | C1 | C9 | C8 | 0.1° | 0.1° |
| H1 | C1 | C9 | C10 | 180.0° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C10 | 0.0° | 0.0° |
| C2 | C3 | C4 | H4 | 179.9° | 179.9° |
| C3 | C4 | C10 | H4 | 180.0° | 179.9° |
| C3 | C4 | C10 | C5 | 179.9° | 180.0° |
| C3 | C4 | C10 | C9 | 0.1° | 0.1° |
| H3 | C3 | C4 | C10 | 180.0° | 180.0° |
| H3 | C3 | C4 | H4 | 0.1° | 0.0° |
| C4 | C10 | C5 | C6 | 179.9° | 180.0° |
| C4 | C10 | C5 | C9 | 180.0° | 179.9° |
| C4 | C10 | C5 | N | 0.0° | 0.0° |
| C4 | C10 | C9 | C8 | 180.0° | 180.0° |
| H4 | C4 | C10 | C5 | 0.2° | 0.1° |
| H4 | C4 | C10 | C9 | 179.9° | 180.0° |
| C6 | C5 | C10 | N | 179.9° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.1° | 0.0° |
| C5 | C6 | C7 | H7 | 179.9° | 179.9° |
| C6 | C5 | C10 | C9 | 0.1° | 0.1° |
| C6 | C5 | N | HN1 | 179.9° | 145.9° |
| C6 | C5 | N | HN2 | 0.1° | 40.3° |
| C10 | C5 | C6 | C7 | 0.1° | 0.0° |
| C10 | C5 | C6 | H6 | 179.9° | 180.0° |
| C5 | C10 | C9 | C8 | 0.1° | 0.1° |
| C10 | C5 | N | HN1 | 0.0° | 34.1° |
| C10 | C5 | N | HN2 | 180.0° | 139.7° |
| N | C5 | C6 | C7 | 179.9° | 180.0° |
| N | C5 | C6 | H6 | 0.0° | 0.0° |
| N | C5 | C10 | C9 | 180.0° | 180.0° |
| C5 | N | HN1 | HN2 | 180.0° | 173.6° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.0° | 0.1° |
| C6 | C7 | C8 | H8 | 180.0° | 179.9° |
| H6 | C6 | C7 | C8 | 179.9° | 180.0° |
| H6 | C6 | C7 | H7 | 0.1° | 0.1° |
| C7 | C8 | C9 | H8 | 180.0° | 179.8° |
| C7 | C8 | C9 | C10 | 0.0° | 0.1° |
| H7 | C7 | C8 | C9 | 180.0° | 179.9° |
| H7 | C7 | C8 | H8 | 0.0° | 0.1° |
| H8 | C8 | C9 | C10 | 180.0° | 179.9° |
