4-Cyano-N-{(3S)-3-(4-Fluorophenyl)-3-[4-(Methylsulfonyl)Phenyl]Propyl}Benzamide

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Properties Simple | Detailed

Formula C24H21FN2O3S
IUPAC Name 4-cyano-n-[(3s)-3-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)propyl]benzamide
Molecular Mass 436.499 g·mol−1
Heat of Formation -331.0 ± 16.7 kJ·mol−1
Dipole Moment 6.56 ± 1.08 D
Volume 506.04 Å 3
Surface Area 439.84 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy 1.69 ± eV
Point Group Symmetry C1
Synonyms
  • 4-cyano-n-[(3s)-3-(4-fluorophenyl)-3-(4-mesylphenyl)propyl]benzamide
  • 4-cyano-n-[(3s)-3-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)propyl]benzamide
InChIKey OXJGQTIVCHEXQS-QHCPKHFHSA-N
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