4-({(3R)-7-(5-Formyl-2-Furyl)-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 Benzylcarbamate

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Properties Simple | Detailed

Formula C41H39N5O7S
IUPAC Name [4-[[7-(5-formyl-2-furyl)-4-(4-methoxyphenyl)sulfonyl-1-[(3-methylimidazol-4-yl)methyl]-3,5-dihydro-2h-1,4-benzodiazepin-3-yl]methyl]phenyl] n-benzylcarbamate
Molecular Mass 745.843 g·mol−1
Heat of Formation -472.4 ± 16.7 kJ·mol−1
Dipole Moment 7.42 ± 1.08 D
Volume 861.79 Å 3
Surface Area 643.32 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
InChIKey GAZNDTRYZUUOKB-MGBGTMOVSA-N
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