(2S,4S)-4-Fluoro-1-[4-Fluoro-β-(4-Fluorophenyl)-L-Phenylalanyl]-2-Pyrrolidinecarbonitrile

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Formula C20H18F3N3O
IUPAC Name (2s,4s)-1-[(2s)-2-amino-3,3-bis(4-fluorophenyl)propanoyl]-4-fluoro-pyrrolidine-2-carbonitrile
Molecular Mass 373.372 g·mol−1
Heat of Formation -452.0 ± 16.7 kJ·mol−1
Dipole Moment 5.97 ± 1.08 D
Volume 428.48 Å 3
Surface Area 337.77 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy 2.70 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4s)-1-[(2s)-2-amino-3,3-bis(4-fluorophenyl)-1-oxopropyl]-4-fluoro-2-pyrrolidinecarbonitrile
  • (2s,4s)-1-[(2s)-2-amino-3,3-bis(4-fluorophenyl)propanoyl]-4-fluoro-pyrrolidine-2-carbonitrile
  • (2s,4s)-1-[(2s)-2-amino-3,3-bis(4-fluorophenyl)propanoyl]-4-fluoropyrrolidine-2-carbonitrile
InChIKey URRAHSMDPCMOTH-LNLFQRSKSA-N
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