9H8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | S1 | doub | 1.42Å | 1.43Å | |
| F1 | C6 | sing | 1.40Å | 1.32Å | |
| N2 | S1 | sing | 1.66Å | 1.62Å | |
| N2 | C5 | sing | 1.46Å | 1.47Å | |
| F2 | C6 | sing | 1.40Å | 1.32Å | |
| C3 | N1 | sing | 1.48Å | 1.47Å | |
| C3 | C5 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.54Å | 1.53Å | |
| S1 | C6 | sing | 1.81Å | 1.76Å | |
| S1 | O1 | doub | 1.42Å | 1.43Å | |
| N1 | C4 | sing | 1.49Å | 1.47Å | |
| C6 | F3 | sing | 1.40Å | 1.32Å | |
| C2 | C1 | sing | 1.55Å | 1.52Å | |
| C4 | C1 | sing | 1.55Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| N1 | H6 | sing | 1.01Å | 1.00Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | S1 | N2 | 107.8° | 104.3° |
| O2 | S1 | C6 | 105.3° | 110.5° |
| O2 | S1 | O1 | 120.0° | 121.1° |
| F1 | C6 | F2 | 108.5° | 109.5° |
| F1 | C6 | S1 | 110.5° | 109.4° |
| F1 | C6 | F3 | 108.3° | 109.5° |
| S1 | N2 | C5 | 120.1° | 120.0° |
| N2 | S1 | C6 | 108.7° | 104.4° |
| N2 | S1 | O1 | 109.2° | 104.3° |
| S1 | N2 | H12 | 106.8° | 120.0° |
| N2 | C5 | C3 | 111.6° | 109.5° |
| N2 | C5 | H10 | 108.9° | 109.4° |
| N2 | C5 | H11 | 108.9° | 109.5° |
| C5 | N2 | H12 | 106.7° | 120.0° |
| F2 | C6 | S1 | 110.6° | 109.5° |
| F2 | C6 | F3 | 108.2° | 109.5° |
| N1 | C3 | C5 | 112.3° | 109.9° |
| N1 | C3 | C2 | 102.5° | 107.0° |
| C3 | N1 | C4 | 108.9° | 105.9° |
| N1 | C3 | H5 | 109.9° | 109.9° |
| C3 | N1 | H6 | 109.7° | 111.0° |
| C5 | C3 | C2 | 113.7° | 109.9° |
| C5 | C3 | H5 | 109.1° | 109.9° |
| C3 | C5 | H10 | 108.9° | 109.5° |
| C3 | C5 | H11 | 108.9° | 109.5° |
| C3 | C2 | C1 | 104.5° | 105.2° |
| C3 | C2 | H3 | 110.7° | 110.3° |
| C3 | C2 | H4 | 110.7° | 110.4° |
| C2 | C3 | H5 | 109.1° | 110.1° |
| C6 | S1 | O1 | 105.3° | 110.6° |
| S1 | C6 | F3 | 110.7° | 109.5° |
| N1 | C4 | C1 | 106.3° | 103.0° |
| C4 | N1 | H6 | 109.6° | 111.0° |
| N1 | C4 | H8 | 110.3° | 110.7° |
| N1 | C4 | H9 | 110.3° | 110.6° |
| C2 | C1 | C4 | 105.2° | 103.1° |
| C2 | C1 | H1 | 110.5° | 110.7° |
| C2 | C1 | H2 | 110.5° | 110.8° |
| C1 | C2 | H3 | 110.7° | 110.3° |
| C1 | C2 | H4 | 110.7° | 110.3° |
| C4 | C1 | H1 | 110.5° | 110.7° |
| C4 | C1 | H2 | 110.5° | 110.7° |
| C1 | C4 | H8 | 110.3° | 110.9° |
| C1 | C4 | H9 | 110.2° | 110.7° |
| H1 | C1 | H2 | 109.5° | 110.6° |
| H3 | C2 | H4 | 109.5° | 110.3° |
| H8 | C4 | H9 | 109.4° | 110.7° |
| H10 | C5 | H11 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | S1 | C6 | F1 | 87.5° | 68.4° |
| O2 | S1 | N2 | C6 | 113.7° | 116.0° |
| O2 | S1 | N2 | O1 | 131.9° | 127.9° |
| O2 | S1 | N2 | C5 | 156.7° | 51.1° |
| O2 | S1 | C6 | F2 | 32.6° | 51.6° |
| O2 | S1 | C6 | O1 | 127.8° | 136.8° |
| O2 | S1 | C6 | F3 | 152.6° | 171.6° |
| O2 | S1 | N2 | H12 | 81.8° | 129.0° |
| F1 | C6 | S1 | N2 | 27.7° | 180.0° |
| F1 | C6 | F2 | S1 | 121.4° | 120.0° |
| F1 | C6 | F2 | F3 | 117.2° | 120.0° |
| F1 | C6 | S1 | F3 | 119.9° | 120.0° |
| F1 | C6 | S1 | O1 | 144.6° | 68.4° |
| S1 | N2 | C5 | H12 | 121.5° | 180.0° |
| N2 | S1 | C6 | F2 | 147.9° | 60.0° |
| S1 | N2 | C5 | C3 | 147.3° | 165.0° |
| N2 | S1 | C6 | O1 | 116.9° | 111.6° |
| N2 | S1 | C6 | F3 | 92.2° | 60.0° |
| S1 | N2 | C5 | H10 | 26.9° | 45.0° |
| S1 | N2 | C5 | H11 | 92.4° | 75.0° |
| N2 | C5 | C3 | N1 | 73.5° | 56.5° |
| N2 | C5 | C3 | H10 | 120.3° | 120.0° |
| N2 | C5 | C3 | H11 | 120.3° | 120.0° |
| N2 | C5 | C3 | C2 | 170.7° | 174.0° |
| C5 | N2 | S1 | C6 | 89.6° | 65.0° |
| C5 | N2 | S1 | O1 | 24.8° | 178.9° |
| N2 | C5 | C3 | H5 | 48.7° | 64.6° |
| N2 | C5 | H10 | H11 | 119.0° | 120.0° |
| F2 | C6 | S1 | F3 | 119.9° | 120.0° |
| F2 | C6 | S1 | O1 | 95.2° | 171.6° |
| N1 | C3 | C5 | C2 | 115.9° | 117.6° |
| N1 | C3 | C5 | H5 | 122.1° | 121.1° |
| N1 | C3 | C2 | H5 | 116.5° | 119.4° |
| C3 | N1 | C4 | H6 | 119.9° | 120.6° |
| N1 | C3 | C2 | C1 | 35.0° | 1.2° |
| C3 | N1 | C4 | C1 | 17.7° | 39.1° |
| N1 | C3 | C2 | H3 | 154.2° | 120.2° |
| N1 | C3 | C2 | H4 | 84.2° | 117.8° |
| C3 | N1 | C4 | H8 | 137.2° | 157.7° |
| C3 | N1 | C4 | H9 | 101.8° | 79.2° |
| N1 | C3 | C5 | H10 | 46.8° | 176.4° |
| N1 | C3 | C5 | H11 | 166.2° | 63.6° |
| C5 | C3 | C2 | H5 | 122.0° | 121.3° |
| C5 | C3 | N1 | C4 | 89.5° | 144.6° |
| C5 | C3 | C2 | C1 | 86.5° | 120.6° |
| C5 | C3 | C2 | H3 | 32.7° | 120.5° |
| C5 | C3 | C2 | H4 | 154.3° | 1.6° |
| C5 | C3 | N1 | H6 | 150.6° | 94.8° |
| C3 | C5 | H10 | H11 | 119.0° | 120.0° |
| C3 | C5 | N2 | H12 | 91.2° | 15.0° |
| C2 | C3 | N1 | C4 | 32.9° | 25.3° |
| C3 | C2 | C1 | H3 | 119.2° | 118.9° |
| C3 | C2 | C1 | H4 | 119.2° | 119.0° |
| C3 | C2 | C1 | C4 | 24.8° | 22.0° |
| C3 | C2 | C1 | H1 | 94.5° | 96.4° |
| C3 | C2 | C1 | H2 | 144.1° | 140.5° |
| C3 | C2 | H3 | H4 | 122.3° | 122.2° |
| C2 | C3 | N1 | H6 | 87.0° | 145.8° |
| C2 | C3 | C5 | H10 | 69.0° | 66.0° |
| C2 | C3 | C5 | H11 | 50.3° | 54.0° |
| C6 | S1 | N2 | H12 | 31.9° | 115.0° |
| O1 | S1 | C6 | F3 | 24.7° | 51.6° |
| O1 | S1 | N2 | H12 | 146.3° | 1.1° |
| N1 | C4 | C1 | C2 | 5.1° | 37.3° |
| N1 | C4 | C1 | H8 | 119.5° | 118.4° |
| N1 | C4 | C1 | H9 | 119.5° | 118.3° |
| N1 | C4 | C1 | H1 | 114.2° | 81.1° |
| N1 | C4 | C1 | H2 | 124.5° | 155.8° |
| C4 | N1 | C3 | H5 | 148.7° | 94.3° |
| N1 | C4 | H8 | H9 | 121.5° | 123.1° |
| C2 | C1 | C4 | H1 | 119.3° | 118.4° |
| C2 | C1 | C4 | H2 | 119.3° | 118.5° |
| C2 | C1 | H1 | H2 | 122.0° | 123.2° |
| C1 | C2 | H3 | H4 | 122.3° | 122.1° |
| C1 | C2 | C3 | H5 | 151.5° | 118.2° |
| C2 | C1 | C4 | H8 | 114.4° | 155.8° |
| C2 | C1 | C4 | H9 | 124.7° | 81.0° |
| C4 | C1 | H1 | H2 | 122.0° | 123.1° |
| C4 | C1 | C2 | H3 | 144.0° | 96.9° |
| C4 | C1 | C2 | H4 | 94.4° | 141.0° |
| C1 | C4 | N1 | H6 | 102.3° | 159.7° |
| C1 | C4 | H8 | H9 | 121.4° | 123.3° |
| H1 | C1 | C2 | H3 | 24.7° | 144.7° |
| H1 | C1 | C2 | H4 | 146.3° | 22.6° |
| H1 | C1 | C4 | H8 | 126.3° | 37.3° |
| H1 | C1 | C4 | H9 | 5.3° | 160.6° |
| H2 | C1 | C2 | H3 | 96.7° | 21.6° |
| H2 | C1 | C2 | H4 | 24.9° | 100.5° |
| H2 | C1 | C4 | H8 | 4.9° | 85.7° |
| H2 | C1 | C4 | H9 | 116.0° | 37.6° |
| H3 | C2 | C3 | H5 | 89.4° | 0.7° |
| H4 | C2 | C3 | H5 | 32.3° | 122.8° |
| H5 | C3 | N1 | H6 | 28.8° | 26.3° |
| H5 | C3 | C5 | H10 | 169.0° | 55.4° |
| H5 | C3 | C5 | H11 | 71.6° | 175.3° |
| H6 | N1 | C4 | H8 | 17.3° | 81.8° |
| H6 | N1 | C4 | H9 | 138.2° | 41.4° |
| H10 | C5 | N2 | H12 | 148.4° | 135.0° |
| H11 | C5 | N2 | H12 | 29.1° | 105.0° |
