| Formula |
C21H21ClN4O2S |
| IUPAC Name |
(2s)-2-[(6-chloro-3,3-dimethyl-4h-isoquinolin-1-yl)amino]-3-[4-(1h-pyrazol-4-yl)-3-thienyl]propanoic acid |
| Molecular Mass |
428.935 g·mol−1 |
| Heat of Formation |
-33.2 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.31 ± 1.08 D |
| Volume |
494.25 Å 3 |
| Surface Area |
377.73 Å 2 |
| HOMO Energy |
-8.73 ± 0.55 eV |
| LUMO Energy |
2.25 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
ASNJXTHXWLJRAC-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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