(2S)-(4-Chlorophenyl)[(3S)-3-(4-Chlorophenyl)-7-Iodo-2,5-Dioxo-1,2,3,5-Tetrahydro-4H-1,4-Benzodiazepin-4-Yl]Acetic Acid

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Properties Simple | Detailed

Formula C23H15Cl2IN2O4
IUPAC Name (2s)-2-(4-chlorophenyl)-2-[(3s)-3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]acetic acid
Molecular Mass 581.187 g·mol−1
Heat of Formation -381.3 ± 16.7 kJ·mol−1
Dipole Moment 2.31 ± 1.08 D
Volume 534.07 Å 3
Surface Area 400.25 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 1.89 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(4-chlorophenyl)-2-[(3s)-3-(4-chlorophenyl)-7-iodo-2,5-diketo-1,3-dihydro-1,4-benzodiazepin-4-yl]acetic acid
  • (2s)-2-(4-chlorophenyl)-2-[(3s)-3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]acetic acid
  • (2s)-2-(4-chlorophenyl)-2-[(3s)-3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]ethanoic acid
  • (4-chlorophenyl)[3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,2,3,5-tetrahydro-4h-1,4-benzodiazepin-4-yl]acetic acid
  • di-chloro-benzo-diazepine
  • diz
InChIKey HQEQUYKKMMKSSX-PMACEKPBSA-N
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