6-(Difluoromethoxy)-2-{(R)-[(3,4-Dimethoxy-2-Pyridinyl)Methyl]Sulfinyl}-1H-Benzimidazole

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Properties Simple | Detailed

Formula C16H15F2N3O4S
IUPAC Name 5-(difluoromethoxy)-2-[(r)-(3,4-dimethoxy-2-pyridyl)methylsulfinyl]benzimidazol-3-ium
Molecular Mass 383.370 g·mol−1
Heat of Formation -654.6 ± 16.7 kJ·mol−1
Dipole Moment 4.66 ± 1.08 D
Volume 409.05 Å 3
Surface Area 370.15 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
InChIKey IQPSEEYGBUAQFF-AREMUKBSSA-N
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