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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Elements |
H
C
S
O
N
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