5-Methoxy-2-{(S)-[(4-Methoxy-3,5-Dimethyl-1-Oxido-2-Pyridinyl)Methyl]Sulfinyl}-1H-Benzimidazole

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Properties Simple | Detailed

Formula C17H19N3O4S
IUPAC Name 5-methoxy-2-[(s)-(4-methoxy-3,5-dimethyl-1-oxido-piperidine-2,3,4,5,6-pentaid-2-yl)methylsulfinyl]benzimidazol-3-ium-2-ylium
Molecular Mass 361.415 g·mol−1
Heat of Formation -205.3 ± 16.7 kJ·mol−1
Dipole Moment 4.30 ± 1.08 D
Volume 407.98 Å 3
Surface Area 357.78 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
InChIKey QZVDQETYNOBUPJ-VWLOTQADSA-N
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