DMS
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
S | O | doub | 1.42Å | 1.47Å | |
S | C1 | sing | 1.81Å | 1.72Å | |
S | C2 | sing | 1.81Å | 1.77Å | |
C1 | H11 | sing | 1.09Å | 1.12Å | |
C1 | H12 | sing | 1.09Å | 1.12Å | |
C1 | H13 | sing | 1.09Å | 1.11Å | |
C2 | H21 | sing | 1.09Å | 1.12Å | |
C2 | H22 | sing | 1.09Å | 1.11Å | |
C2 | H23 | sing | 1.09Å | 1.12Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | S | C1 | 107.4° | 109.5° |
O | S | C2 | 106.9° | 109.5° |
C1 | S | C2 | 105.7° | 100.1° |
S | C1 | H11 | 107.4° | 109.5° |
S | C1 | H12 | 113.0° | 109.4° |
S | C1 | H13 | 113.0° | 109.5° |
S | C2 | H21 | 107.0° | 109.5° |
S | C2 | H22 | 113.2° | 109.5° |
S | C2 | H23 | 113.2° | 109.5° |
H11 | C1 | H12 | 112.9° | 109.4° |
H11 | C1 | H13 | 113.0° | 109.5° |
H12 | C1 | H13 | 97.5° | 109.4° |
H21 | C2 | H22 | 113.1° | 109.5° |
H21 | C2 | H23 | 113.1° | 109.4° |
H22 | C2 | H23 | 97.2° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | S | C1 | C2 | 113.9° | 115.0° |
O | S | C1 | H11 | 180.0° | 65.0° |
O | S | C1 | H12 | 54.8° | 55.0° |
O | S | C1 | H13 | 54.7° | 174.9° |
O | S | C2 | H21 | 180.0° | 65.0° |
O | S | C2 | H22 | 54.7° | 174.9° |
O | S | C2 | H23 | 54.7° | 55.0° |
S | C1 | H11 | H12 | 125.2° | 120.0° |
S | C1 | H11 | H13 | 125.3° | 120.0° |
S | C1 | H12 | H13 | 118.9° | 120.0° |
C1 | S | C2 | H21 | 65.8° | 179.9° |
C1 | S | C2 | H22 | 168.9° | 60.0° |
C1 | S | C2 | H23 | 59.5° | 60.0° |
C2 | S | C1 | H11 | 66.1° | 180.0° |
C2 | S | C1 | H12 | 59.1° | 60.0° |
C2 | S | C1 | H13 | 168.6° | 59.9° |
S | C2 | H21 | H22 | 125.3° | 120.1° |
S | C2 | H21 | H23 | 125.3° | 120.0° |
S | C2 | H22 | H23 | 119.1° | 120.0° |
H11 | C1 | H12 | H13 | 119.0° | 120.0° |
H21 | C2 | H22 | H23 | 119.0° | 119.9° |