| Formula |
C21H25ClN2O2S |
| IUPAC Name |
(2s)-2-[(6-chloro-3,3-dimethyl-4h-isoquinolin-1-yl)amino]-3-(4-propyl-3-thienyl)propanoic acid |
| Molecular Mass |
404.953 g·mol−1 |
| Heat of Formation |
-286.6 ± 16.7 kJ·mol−1 |
| Dipole Moment |
1.56 ± 1.08 D |
| Volume |
488.07 Å 3 |
| Surface Area |
406.93 Å 2 |
| HOMO Energy |
-8.68 ± 0.55 eV |
| LUMO Energy |
2.28 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
SFUUSYIYAKSHRW-SFHVURJKSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
C
Cl
H
O
N
S
|
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