4-({(3R)-7-Cyano-4-[(4-Methoxyphenyl)Sulfonyl]-1-[(1-Methyl-1H-Imidazol-5-Yl)Methyl]-2,3,4,5-Tetrahydro-1H-1,4-Benzodiazepin-3-Yl}Methyl)Phenyl Hexylcarbamate

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Formula C36H42N6O5S
IUPAC Name [4-[[(1s,3r,4r)-7-cyano-4-(4-methoxyphenyl)sulfonyl-1-[(3-methylimidazol-4-yl)methyl]-3,5-dihydro-2h-1,4-benzodiazepin-3-yl]methyl]phenyl] n-hexylcarbamate
Molecular Mass 670.821 g·mol−1
Heat of Formation -439.6 ± 16.7 kJ·mol−1
Dipole Moment 13.16 ± 1.08 D
Volume 800.47 Å 3
Surface Area 597.52 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
InChIKey HGCSBLLHUYZWLK-SSEXGKCCSA-N
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