(1S)-1-Cyclopropyl-2-[(2S)-4-(2,5-Difluorophenyl)-2-Phenyl-2,5-Dihydro-1H-Pyrrol-1-Yl]-2-Oxoethanamine

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Formula C21H20F2N2O
IUPAC Name (2s)-2-amino-2-cyclopropyl-1-[(2s)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]ethanone
Molecular Mass 354.393 g·mol−1
Heat of Formation -191.7 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 425.28 Å 3
Surface Area 352.54 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-2-cyclopropyl-1-[(2s)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]ethanone
  • (2s)-2-amino-2-cyclopropyl-1-[(2s)-4-(2,5-difluorophenyl)-2-phenyl-3-pyrrolin-1-yl]ethanone
  • n4t
InChIKey VCOUEHUEFUDZIS-PMACEKPBSA-N
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