2-(1H-Benzimidazol-2-Ylsulfanyl)-1-(3,4-Dihydroxyphenyl)Ethanone

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Properties Simple | Detailed

Formula C15H12N2O3S
IUPAC Name 2-(benzimidazol-1-ium-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)ethanone
Molecular Mass 300.332 g·mol−1
Heat of Formation -180.6 ± 16.7 kJ·mol−1
Dipole Moment 1.49 ± 1.08 D
Volume 330.38 Å 3
Surface Area 310.05 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 2.22 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(1h-benzimidazol-2-ylthio)-1-(3,4-dihydroxyphenyl)ethanone
  • nnc 92-1687 2-(benzimidazol-2-ylthio)-1-(3,4-dihydroxyphenyl-1-ethan one
InChIKey NVYSVDRYESXWBD-UHFFFAOYSA-N
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