| Formula |
C28H33N7O4S |
| IUPAC Name |
methyl 4-[[[(1r,3s)-6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2h-quinolin-3-yl]-(2-pyridylsulfonyl)amino]methyl]piperidine-1-carboxylate |
| Molecular Mass |
563.671 g·mol−1 |
| Heat of Formation |
-246.0 ± 16.7 kJ·mol−1 |
| Dipole Moment |
7.63 ± 1.08 D |
| Volume |
658.46 Å 3 |
| Surface Area |
500.02 Å 2 |
| HOMO Energy |
-8.75 ± 0.55 eV |
| LUMO Energy |
2.09 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
BRIVIXLMMUIBJY-DEOSSOPVSA-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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