N-({(5S)-3-[4-(3-Cyano-1H-Pyrrol-1-Yl)-3-Fluorophenyl]-2-Oxo-1,3-Oxazolidin-5-Yl}Methyl)Acetamide

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Properties Simple | Detailed

Formula C17H15FN4O3
IUPAC Name n-[[(5s)-3-[4-(3-cyano-2h-pyrrol-1-ium-2-ylium-1-yl)-3-fluoro-phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
Molecular Mass 342.324 g·mol−1
Heat of Formation -365.7 ± 16.7 kJ·mol−1
Dipole Moment 9.13 ± 1.08 D
Volume 384.23 Å 3
Surface Area 356.81 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry C1
Synonyms
  • n-[[(5s)-3-[4-(3-cyanopyrrol-1-yl)-3-fluoro-phenyl]-2-keto-oxazolidin-5-yl]methyl]acetamide
  • n-[[(5s)-3-[4-(3-cyanopyrrol-1-yl)-3-fluoro-phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
InChIKey AUSXUKWTTCOLJV-AWEZNQCLSA-N
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