Formula |
C24H19F4N5O3S |
IUPAC Name |
2-[2-(aminomethyl)phenyl]-n-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-5-(trifluoromethyl)pyrazol-2-ium-1-ide-3-carboxamide |
Molecular Mass |
533.498 g·mol−1 |
Heat of Formation |
-814.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.16 ± 1.08 D |
Volume |
565.74 Å 3 |
Surface Area |
451.85 Å 2 |
HOMO Energy |
-9.48 ± 0.55 eV |
LUMO Energy |
1.86 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-[2-(aminomethyl)phenyl]-n-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-5-(trifluoromethyl)-3-pyrazolecarboxamide
- 2-[2-(aminomethyl)phenyl]-n-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
|
InChIKey |
TYPXEIGMGZWOGB-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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