Formula |
C27H19ClFN5O3S |
IUPAC Name |
2-chloro-3-(1-cyanocyclopropyl)-n-[5-[2-(cyclopropanecarbonylamino)thiazolo[5,4-b]pyridin-5-yl]oxy-2-fluoro-phenyl]benzamide |
Molecular Mass |
547.988 g·mol−1 |
Heat of Formation |
21.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.06 ± 1.08 D |
Volume |
591.84 Å 3 |
Surface Area |
518.15 Å 2 |
HOMO Energy |
-8.87 ± 0.55 eV |
LUMO Energy |
2.10 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
MDPMAXSABUPRJI-UHFFFAOYSA-N |
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Elements |
C
Cl
H
F
O
N
S
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