(2E)-3-(2,4-Dichlorophenyl)-N-[(3R)-1-Methyl-2-Oxo-5-Phenyl-2,3-Dihydro-1H-1,4-Benzodiazepin-3-Yl]Acrylamide

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Properties Simple | Detailed

Formula C25H19Cl2N3O2
IUPAC Name (e)-3-(2,4-dichlorophenyl)-n-[(3r)-1-methyl-2-oxo-5-phenyl-3h-1,4-benzodiazepin-3-yl]prop-2-enamide
Molecular Mass 464.343 g·mol−1
Heat of Formation 63.4 ± 16.7 kJ·mol−1
Dipole Moment 4.86 ± 1.08 D
Volume 512.68 Å 3
Surface Area 448.03 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(2,4-dichlorophenyl)-n-[(3r)-1-methyl-2-oxo-5-phenyl-3h-1,4-benzodiazepin-3-yl]prop-2-enamide
  • (e)-3-(2,4-dichlorophenyl)-n-[(3r)-2-keto-1-methyl-5-phenyl-3h-1,4-benzodiazepin-3-yl]acrylamide
  • l 735821
InChIKey BYULDQRRUINTAA-SWDTZWKESA-N
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Elements H C N O Cl