| Formula |
C28H24ClFN6O3S |
| IUPAC Name |
2-chloro-3-(1-cyano-1-methyl-ethoxy)-n-[5-[[2-(cyclopropanecarbonylamino)thiazolo[5,4-b]pyridin-5-yl]-methyl-amino]-2-fluoro-phenyl]benzamide |
| Molecular Mass |
579.045 g·mol−1 |
| Heat of Formation |
-101.8 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.55 ± 1.08 D |
| Volume |
641.75 Å 3 |
| Surface Area |
547.25 Å 2 |
| HOMO Energy |
-8.15 ± 0.55 eV |
| LUMO Energy |
2.11 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
BSBQPLUISHJULY-UHFFFAOYSA-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
F
O
N
S
|
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