Formula |
C22H21ClFN3O3S |
IUPAC Name |
4-(3-chloro-2-fluoro-phenoxy)-1-[[6-(thiazol-2-ylamino)-2-pyridyl]methyl]cyclohexanecarboxylic acid |
Molecular Mass |
461.937 g·mol−1 |
Heat of Formation |
-441.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.69 ± 1.08 D |
Volume |
515.68 Å 3 |
Surface Area |
419.72 Å 2 |
HOMO Energy |
-9.18 ± 0.55 eV |
LUMO Energy |
-0.76 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
LCVIRAZGMYMNNT-FVUUGDKNSA-N |
QR Code |
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Links |
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Elements |
C
F
H
Cl
O
N
S
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