2-[(S)-{[4-(3-Methoxypropoxy)-3-Methyl-2-Pyridinyl]Methyl}Sulfinyl]-1H-Benzimidazole

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Properties Simple | Detailed

Formula C18H21N3O3S
IUPAC Name 2-[(s)-[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methylsulfinyl]benzimidazol-1-ium-2-ylium
Molecular Mass 359.443 g·mol−1
Heat of Formation -154.8 ± 16.7 kJ·mol−1
Dipole Moment 3.38 ± 1.08 D
Volume 420.83 Å 3
Surface Area 386.05 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(s)-[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methylsulfinyl]-1h-benzimidazole
  • 2-[(s)-[4-(3-methoxypropoxy)-3-methyl-pyridin-2-yl]methylsulfinyl]-1h-benzimidazole
  • 2-[(s)-[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]-1h-benzimidazole
InChIKey YREYEVIYCVEVJK-VWLOTQADSA-N
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