(S)-Cyano(3-Phenoxyphenyl)Methyl (2R)-2-(4-Chlorophenyl)-3-Methylbutanoate

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Properties Simple | Detailed

Formula C25H22ClNO3
IUPAC Name [(s)-cyano-(3-phenoxyphenyl)methyl] (2r)-2-(4-chlorophenyl)-3-methyl-butanoate
Molecular Mass 419.900 g·mol−1
Heat of Formation -213.5 ± 16.7 kJ·mol−1
Dipole Moment 3.99 ± 1.08 D
Volume 505.57 Å 3
Surface Area 382.1 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-(4-chlorophenyl)-3-methyl-butyric acid [(s)-cyano-[3-(phenoxy)phenyl]methyl] ester
  • (2r)-2-(4-chlorophenyl)-3-methylbutanoic acid [(s)-cyano-[3-(phenoxy)phenyl]methyl] ester
  • [(s)-cyano-[3-(phenoxy)phenyl]methyl] (2r)-2-(4-chlorophenyl)-3-methyl-butanoate
  • [(s)-cyano-[3-(phenoxy)phenyl]methyl] (2r)-2-(4-chlorophenyl)-3-methylbutanoate
InChIKey NYPJDWWKZLNGGM-DNQXCXABSA-N
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Elements H C N O Cl