Formula |
C26H17F4N5O3S |
IUPAC Name |
n-[7-cyano-6-[4-fluoro-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide |
Molecular Mass |
555.503 g·mol−1 |
Heat of Formation |
-712.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.07 ± 1.08 D |
Volume |
589.2 Å 3 |
Surface Area |
505.64 Å 2 |
HOMO Energy |
-8.94 ± 0.55 eV |
LUMO Energy |
1.94 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
IIKOGUBERFKZGT-UHFFFAOYSA-N |
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Elements |
C
F
H
O
N
S
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