Formula |
C21H15F3N4O3S |
IUPAC Name |
n-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1h-pyrazolo[3,4-b]pyridine-5-carboxamide |
Molecular Mass |
460.429 g·mol−1 |
Heat of Formation |
-600.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.37 ± 1.08 D |
Volume |
481.27 Å 3 |
Surface Area |
428.81 Å 2 |
HOMO Energy |
-9.74 ± 0.55 eV |
LUMO Energy |
-1.33 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
LKBHAGGICJWHQQ-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
C
F
H
O
N
S
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