| Formula |
C37H36N6O5S |
| IUPAC Name |
[4-[[(3r)-7-cyano-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 |
676.784 g·mol−1 |
| Heat of Formation |
-186.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.87 ± 1.08 D |
| Volume |
791.34 Å 3 |
| Surface Area |
587.09 Å 2 |
| HOMO Energy |
-8.70 ± 0.55 eV |
| LUMO Energy |
2.13 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
ISPKWTLKQCPKQN-WJOKGBTCSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
H
C
S
O
N
|
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