C3H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C9 | doub | 1.21Å | 1.23Å | |
| S | C7 | sing | 1.81Å | 1.81Å | |
| S | C3 | sing | 1.81Å | 1.89Å | |
| O2 | C11 | doub | 1.21Å | 1.21Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C9 | N1 | sing | 1.35Å | 1.33Å | |
| C9 | C8 | sing | 1.51Å | 1.56Å | |
| C11 | O3 | sing | 1.34Å | 1.31Å | |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C | C1 | sing | 1.53Å | 1.51Å | |
| N1 | C10 | sing | 1.47Å | 1.45Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | C5 | sing | 1.53Å | 1.54Å | |
| C8 | N | sing | 1.47Å | 1.47Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | O | sing | 1.43Å | 1.40Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| N | H6 | sing | 1.01Å | 1.00Å | |
| N | H7 | sing | 1.01Å | 1.00Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| C6 | H16 | sing | 1.09Å | 1.10Å | |
| C6 | H17 | sing | 1.09Å | 1.10Å | |
| O | H18 | sing | 0.97Å | 0.95Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C | H23 | sing | 1.09Å | 1.10Å | |
| C | H24 | sing | 1.09Å | 1.10Å | |
| C | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C9 | N1 | 123.0° | 120.0° |
| O1 | C9 | C8 | 120.2° | 120.0° |
| C7 | S | C3 | 109.4° | 103.0° |
| S | C7 | C8 | 114.7° | 109.5° |
| S | C7 | H9 | 108.1° | 109.5° |
| S | C7 | H10 | 108.1° | 109.5° |
| S | C3 | C2 | 109.9° | 109.5° |
| S | C3 | C4 | 102.7° | 109.5° |
| S | C3 | C5 | 109.5° | 109.5° |
| O2 | C11 | O3 | 123.6° | 120.0° |
| O2 | C11 | C10 | 124.2° | 120.0° |
| C7 | C8 | C9 | 111.1° | 109.5° |
| C7 | C8 | N | 109.8° | 109.5° |
| C7 | C8 | H5 | 108.4° | 109.5° |
| C8 | C7 | H9 | 108.2° | 109.5° |
| C8 | C7 | H10 | 108.2° | 109.5° |
| N1 | C9 | C8 | 116.8° | 119.9° |
| C9 | N1 | C10 | 121.6° | 119.9° |
| C9 | N1 | H4 | 119.2° | 120.1° |
| C9 | C8 | N | 110.3° | 109.4° |
| C9 | C8 | H5 | 108.1° | 109.4° |
| O3 | C11 | C10 | 112.1° | 120.0° |
| C11 | O3 | H1 | 109.5° | 117.0° |
| C11 | C10 | N1 | 113.0° | 109.5° |
| C11 | C10 | H2 | 108.6° | 109.4° |
| C11 | C10 | H3 | 108.6° | 109.4° |
| C3 | C2 | C1 | 120.9° | 109.4° |
| C2 | C3 | C4 | 108.0° | 109.5° |
| C2 | C3 | C5 | 113.8° | 109.5° |
| C3 | C2 | H19 | 106.5° | 109.5° |
| C3 | C2 | H20 | 106.5° | 109.4° |
| C2 | C1 | C | 112.5° | 109.4° |
| C1 | C2 | H19 | 106.6° | 109.5° |
| C1 | C2 | H20 | 106.6° | 109.5° |
| C2 | C1 | H21 | 108.7° | 109.5° |
| C2 | C1 | H22 | 108.7° | 109.5° |
| C | C1 | H21 | 108.7° | 109.5° |
| C | C1 | H22 | 108.7° | 109.5° |
| C1 | C | H23 | 109.5° | 109.5° |
| C1 | C | H24 | 109.4° | 109.4° |
| C1 | C | H25 | 109.5° | 109.4° |
| N1 | C10 | H2 | 108.6° | 109.5° |
| N1 | C10 | H3 | 108.6° | 109.5° |
| C10 | N1 | H4 | 119.2° | 120.0° |
| C4 | C3 | C5 | 112.3° | 109.5° |
| C3 | C4 | H11 | 109.5° | 109.5° |
| C3 | C4 | H12 | 109.5° | 109.5° |
| C3 | C4 | H13 | 109.5° | 109.5° |
| C3 | C5 | C6 | 118.5° | 109.5° |
| C3 | C5 | H14 | 107.2° | 109.5° |
| C3 | C5 | H15 | 107.2° | 109.5° |
| N | C8 | H5 | 109.2° | 109.5° |
| C8 | N | H6 | 109.5° | 111.0° |
| C8 | N | H7 | 109.5° | 111.0° |
| C5 | C6 | O | 112.9° | 109.5° |
| C6 | C5 | H14 | 107.2° | 109.5° |
| C6 | C5 | H15 | 107.2° | 109.5° |
| C5 | C6 | H16 | 108.6° | 109.5° |
| C5 | C6 | H17 | 108.6° | 109.5° |
| O | C6 | H16 | 108.6° | 109.5° |
| O | C6 | H17 | 108.6° | 109.5° |
| C6 | O | H18 | 109.5° | 114.0° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H6 | N | H7 | 109.5° | 111.0° |
| H9 | C7 | H10 | 109.5° | 109.5° |
| H11 | C4 | H12 | 109.5° | 109.4° |
| H11 | C4 | H13 | 109.5° | 109.4° |
| H12 | C4 | H13 | 109.5° | 109.5° |
| H14 | C5 | H15 | 109.5° | 109.4° |
| H16 | C6 | H17 | 109.4° | 109.5° |
| H19 | C2 | H20 | 109.4° | 109.4° |
| H21 | C1 | H22 | 109.5° | 109.5° |
| H23 | C | H24 | 109.5° | 109.5° |
| H23 | C | H25 | 109.5° | 109.5° |
| H24 | C | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C9 | C8 | C7 | 37.3° | 99.9° |
| O1 | C9 | N1 | C8 | 179.0° | 179.9° |
| O1 | C9 | N1 | C10 | 72.4° | 0.1° |
| O1 | C9 | C8 | N | 159.3° | 20.0° |
| O1 | C9 | N1 | H4 | 107.6° | 180.0° |
| O1 | C9 | C8 | H5 | 81.4° | 140.0° |
| S | C7 | C8 | H9 | 120.8° | 120.0° |
| S | C7 | C8 | H10 | 120.8° | 120.0° |
| S | C7 | C8 | C9 | 103.4° | 180.0° |
| C7 | S | C3 | C2 | 179.6° | 60.0° |
| C7 | S | C3 | C4 | 64.8° | 60.0° |
| C7 | S | C3 | C5 | 54.7° | 180.0° |
| S | C7 | C8 | N | 134.3° | 60.0° |
| S | C7 | C8 | H5 | 15.2° | 60.0° |
| S | C7 | H9 | H10 | 117.6° | 120.0° |
| C3 | S | C7 | C8 | 81.3° | 180.0° |
| S | C3 | C2 | C4 | 111.4° | 120.0° |
| S | C3 | C2 | C5 | 123.3° | 120.0° |
| S | C3 | C2 | C1 | 111.6° | 65.0° |
| S | C3 | C4 | C5 | 117.5° | 120.0° |
| S | C3 | C5 | C6 | 159.0° | 65.0° |
| C3 | S | C7 | H9 | 158.0° | 60.0° |
| C3 | S | C7 | H10 | 39.5° | 60.0° |
| S | C3 | C4 | H11 | 180.0° | 60.0° |
| S | C3 | C4 | H12 | 60.0° | 180.0° |
| S | C3 | C4 | H13 | 60.0° | 60.0° |
| S | C3 | C5 | H14 | 79.7° | 175.0° |
| S | C3 | C5 | H15 | 37.7° | 55.0° |
| S | C3 | C2 | H19 | 126.8° | 175.0° |
| S | C3 | C2 | H20 | 10.0° | 55.0° |
| O2 | C11 | O3 | C10 | 179.1° | 179.7° |
| O2 | C11 | C10 | N1 | 38.5° | 0.0° |
| O2 | C11 | O3 | H1 | 0.0° | 0.1° |
| O2 | C11 | C10 | H2 | 159.0° | 120.0° |
| O2 | C11 | C10 | H3 | 82.0° | 120.0° |
| C7 | C8 | C9 | N1 | 143.6° | 80.0° |
| C7 | C8 | C9 | N | 121.9° | 120.0° |
| C7 | C8 | C9 | H5 | 118.8° | 120.1° |
| C7 | C8 | N | H5 | 118.7° | 120.1° |
| C7 | C8 | N | H6 | 180.0° | 176.1° |
| C7 | C8 | N | H7 | 60.0° | 60.0° |
| C8 | C7 | H9 | H10 | 117.7° | 120.0° |
| C9 | N1 | C10 | C11 | 85.1° | 180.0° |
| C9 | N1 | C10 | H4 | 180.0° | 180.0° |
| N1 | C9 | C8 | N | 21.6° | 160.0° |
| C9 | N1 | C10 | H2 | 35.5° | 60.0° |
| C9 | N1 | C10 | H3 | 154.4° | 60.1° |
| N1 | C9 | C8 | H5 | 97.6° | 40.1° |
| C8 | C9 | N1 | C10 | 106.7° | 180.0° |
| C9 | C8 | N | H5 | 118.6° | 119.9° |
| C8 | C9 | N1 | H4 | 73.4° | 0.1° |
| C9 | C8 | N | H6 | 57.3° | 63.9° |
| C9 | C8 | N | H7 | 62.7° | 60.0° |
| C9 | C8 | C7 | H9 | 17.4° | 60.0° |
| C9 | C8 | C7 | H10 | 135.8° | 60.0° |
| O3 | C11 | C10 | N1 | 142.4° | 179.7° |
| O3 | C11 | C10 | H2 | 21.9° | 60.3° |
| O3 | C11 | C10 | H3 | 97.1° | 59.7° |
| C11 | C10 | N1 | H2 | 120.5° | 119.9° |
| C11 | C10 | N1 | H3 | 120.5° | 120.0° |
| C10 | C11 | O3 | H1 | 179.2° | 179.7° |
| C11 | C10 | H2 | H3 | 118.4° | 119.9° |
| C11 | C10 | N1 | H4 | 94.9° | 0.0° |
| C3 | C2 | C1 | H19 | 121.6° | 120.0° |
| C3 | C2 | C1 | H20 | 121.6° | 120.0° |
| C3 | C2 | C1 | C | 171.8° | 180.0° |
| C2 | C3 | C4 | C5 | 126.3° | 120.0° |
| C2 | C3 | C5 | C6 | 77.5° | 175.0° |
| C2 | C3 | C4 | H11 | 63.8° | 60.0° |
| C2 | C3 | C4 | H12 | 176.1° | 60.0° |
| C2 | C3 | C4 | H13 | 56.2° | 180.0° |
| C2 | C3 | C5 | H14 | 43.8° | 55.0° |
| C2 | C3 | C5 | H15 | 161.2° | 65.0° |
| C3 | C2 | H19 | H20 | 114.8° | 120.0° |
| C3 | C2 | C1 | H21 | 67.8° | 60.0° |
| C3 | C2 | C1 | H22 | 51.3° | 60.1° |
| C2 | C1 | C | H21 | 120.4° | 120.0° |
| C2 | C1 | C | H22 | 120.4° | 119.9° |
| C1 | C2 | C3 | C4 | 137.0° | 175.0° |
| C1 | C2 | C3 | C5 | 11.7° | 55.0° |
| C1 | C2 | H19 | H20 | 114.8° | 120.1° |
| C2 | C1 | H21 | H22 | 118.6° | 120.0° |
| C2 | C1 | C | H23 | 180.0° | 180.0° |
| C2 | C1 | C | H24 | 60.0° | 60.0° |
| C2 | C1 | C | H25 | 60.0° | 60.0° |
| C | C1 | C2 | H19 | 50.2° | 60.0° |
| C | C1 | C2 | H20 | 66.6° | 60.0° |
| C | C1 | H21 | H22 | 118.7° | 120.0° |
| C1 | C | H23 | H24 | 120.0° | 120.0° |
| C1 | C | H23 | H25 | 120.0° | 120.0° |
| C1 | C | H24 | H25 | 120.0° | 120.0° |
| N1 | C10 | H2 | H3 | 118.4° | 120.1° |
| C4 | C3 | C5 | C6 | 45.6° | 55.0° |
| C3 | C4 | H11 | H12 | 120.0° | 120.0° |
| C3 | C4 | H11 | H13 | 120.0° | 120.0° |
| C3 | C4 | H12 | H13 | 120.0° | 120.1° |
| C4 | C3 | C5 | H14 | 166.8° | 65.0° |
| C4 | C3 | C5 | H15 | 75.7° | 175.0° |
| C4 | C3 | C2 | H19 | 15.4° | 55.0° |
| C4 | C3 | C2 | H20 | 101.3° | 65.0° |
| C3 | C5 | C6 | H14 | 121.3° | 120.1° |
| C3 | C5 | C6 | H15 | 121.3° | 120.0° |
| C3 | C5 | C6 | O | 151.6° | 180.0° |
| C5 | C3 | C4 | H11 | 62.5° | 180.0° |
| C5 | C3 | C4 | H12 | 57.5° | 60.0° |
| C5 | C3 | C4 | H13 | 177.5° | 60.0° |
| C3 | C5 | H14 | H15 | 115.9° | 120.0° |
| C3 | C5 | C6 | H16 | 31.1° | 60.0° |
| C3 | C5 | C6 | H17 | 87.9° | 60.0° |
| C5 | C3 | C2 | H19 | 110.0° | 65.0° |
| C5 | C3 | C2 | H20 | 133.3° | 175.0° |
| C8 | N | H6 | H7 | 120.0° | 124.0° |
| N | C8 | C7 | H9 | 104.9° | 60.0° |
| N | C8 | C7 | H10 | 13.6° | 180.0° |
| C5 | C6 | O | H16 | 120.5° | 120.0° |
| C5 | C6 | O | H17 | 120.5° | 120.0° |
| C6 | C5 | H14 | H15 | 115.9° | 120.0° |
| C5 | C6 | H16 | H17 | 118.4° | 120.0° |
| C5 | C6 | O | H18 | 180.0° | 180.0° |
| O | C6 | C5 | H14 | 87.1° | 60.0° |
| O | C6 | C5 | H15 | 30.3° | 60.0° |
| O | C6 | H16 | H17 | 118.4° | 120.0° |
| H2 | C10 | N1 | H4 | 144.5° | 120.0° |
| H3 | C10 | N1 | H4 | 25.6° | 120.0° |
| H5 | C8 | N | H6 | 61.3° | 56.0° |
| H5 | C8 | N | H7 | 178.7° | 179.9° |
| H5 | C8 | C7 | H9 | 135.9° | 180.0° |
| H5 | C8 | C7 | H10 | 105.6° | 60.0° |
| H11 | C4 | H12 | H13 | 120.0° | 119.9° |
| H14 | C5 | C6 | H16 | 152.3° | 180.0° |
| H14 | C5 | C6 | H17 | 33.4° | 60.1° |
| H15 | C5 | C6 | H16 | 90.2° | 60.0° |
| H15 | C5 | C6 | H17 | 150.8° | 180.0° |
| H16 | C6 | O | H18 | 59.5° | 60.1° |
| H17 | C6 | O | H18 | 59.5° | 59.9° |
| H19 | C2 | C1 | H21 | 170.6° | 180.0° |
| H19 | C2 | C1 | H22 | 70.3° | 60.0° |
| H20 | C2 | C1 | H21 | 53.8° | 60.0° |
| H20 | C2 | C1 | H22 | 172.9° | 180.0° |
| H21 | C1 | C | H23 | 59.6° | 60.0° |
| H21 | C1 | C | H24 | 179.6° | 180.0° |
| H21 | C1 | C | H25 | 60.4° | 60.0° |
| H22 | C1 | C | H23 | 59.6° | 60.0° |
| H22 | C1 | C | H24 | 60.5° | 60.0° |
| H22 | C1 | C | H25 | 179.6° | 179.9° |
| H23 | C | H24 | H25 | 120.0° | 120.0° |
