(S)-1-((1-(Pentafluorobenzoyl)-2-Pyrrolidinyl)Carbonyl)-1H-Imidazole

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Properties Simple | Detailed

Formula C15H10F5N3O2
IUPAC Name [(2s)-2-(4h-imidazol-3-ium-4-ylium-3-carbonyl)pyrrolidin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
Molecular Mass 359.251 g·mol−1
Heat of Formation -971.0 ± 16.7 kJ·mol−1
Dipole Moment 6.38 ± 1.08 D
Volume 366.12 Å 3
Surface Area 315.73 Å 2
HOMO Energy -9.97 ± 0.55 eV
LUMO Energy -1.68 ± eV
Point Group Symmetry C1
Synonyms
  • 1-imidazolyl-[(2s)-1-[oxo-(2,3,4,5,6-pentafluorophenyl)methyl]-2-pyrrolidinyl]methanone
  • imidazol-1-yl-[(2s)-1-(2,3,4,5,6-pentafluorobenzoyl)pyrrolidin-2-yl]methanone
  • imidazol-1-yl-[(2s)-1-(2,3,4,5,6-pentafluorophenyl)carbonylpyrrolidin-2-yl]methanone
  • pentafluorobenzoyl-(s)-prolyl-1-imidazolide
CAS Number(s)
  • 40550-30-9
InChIKey PCOHVKIDAJZVFI-ZETCQYMHSA-N
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