(2R)-1-Cyano-2-Butanyl [(1S)-1-(3-{[(4-Cyano-3-Methoxyphenyl)Carbamoyl]Amino}Phenyl)Ethyl]Carbamate

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Formula C23H25N5O4
IUPAC Name [(1s)-1-(cyanomethyl)propyl] n-[(1s)-1-[3-[(4-cyano-3-methoxy-phenyl)carbamoylamino]phenyl]ethyl]carbamate
Molecular Mass 435.476 g·mol−1
Heat of Formation -354.3 ± 16.7 kJ·mol−1
Dipole Moment 9.45 ± 1.08 D
Volume 528.19 Å 3
Surface Area 474.37 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
InChIKey PJFQWSNOXLEDDZ-YWZLYKJASA-N
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