5-{(3S)-3-(4-Chlorophenyl)-4-[(1R)-1-(4-Chlorophenyl)Ethyl]-7-Ethynyl-2,5-Dioxo-2,3,4,5-Tetrahydro-1H-1,4-Benzodiazepin-1-Yl}Pentanoic Acid

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Properties Simple | Detailed

Formula C30H26Cl2N2O4
IUPAC Name n-[1-[2-(chloromethyl)-3-methylene-cyclopropen-1-yl]vinyl]-n-[1-(4-chlorophenyl)-2-oxo-vinyl]-2-(4-hydroperoxybuta-1,3-diynylamino)benzamide
Molecular Mass 549.444 g·mol−1
Heat of Formation -337.2 ± 16.7 kJ·mol−1
Dipole Moment 1.04 ± 1.08 D
Volume 573.02 Å 3
Surface Area 440.75 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[(3s)-3-(4-chlorophenyl)-4-[(1r)-1-(4-chlorophenyl)ethyl]-7-ethynyl-2,5-diketo-3h-1,4-benzodiazepin-1-yl]valeric acid
InChIKey WRGLVOHNHGTKTI-GDJIYFAZSA-N
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Elements H C N O Cl