| Formula |
C21H20BrClN4O2S |
| IUPAC Name |
(2s)-3-[2-bromo-4-(1h-pyrazol-4-yl)-3-thienyl]-2-[(6-chloro-3,3-dimethyl-4h-isoquinolin-1-yl)amino]propanoic acid |
| Molecular Mass |
507.831 g·mol−1 |
| Heat of Formation |
-20.2 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.91 ± 1.08 D |
| Volume |
520.37 Å 3 |
| Surface Area |
390.76 Å 2 |
| HOMO Energy |
-8.95 ± 0.55 eV |
| LUMO Energy |
-1.04 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
DZVYKFXCGGLAAX-KRWDZBQOSA-N |
| QR Code |
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| Links |
PubChem
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| DOI |
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| Downloads |
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|
| Elements |
C
Cl
H
O
N
S
Br
|
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