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

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Properties Simple | Detailed

Formula C16H15F2N3O5S
IUPAC Name 5-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridyl)methylsulfonyl]benzimidazol-3-ium-2-ylium
Molecular Mass 399.369 g·mol−1
Heat of Formation -845.1 ± 16.7 kJ·mol−1
Dipole Moment 5.38 ± 1.08 D
Volume 417.75 Å 3
Surface Area 373.26 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • 5-difluoromethoxy-2-((3,4 dimethoxy-2-pyridyl)methylsulfonyl)-1h-benzimidazole
  • 6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridyl)methylsulfonyl]-1h-benzimidazole
  • 6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfonyl]-1h-benzimidazole
  • dmmpm
CAS Number(s)
  • 127780-16-9
InChIKey FCJYMBZQIJDMMM-UHFFFAOYSA-N
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