Formula |
C33H29F3N4O4S |
IUPAC Name |
n-[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonylbenzamide |
Molecular Mass |
634.668 g·mol−1 |
Heat of Formation |
2216.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
14.92 ± 1.08 D |
Volume |
693.57 Å 3 |
Surface Area |
470.53 Å 2 |
HOMO Energy |
-6.65 ± 0.55 eV |
LUMO Energy |
-4.21 ± eV |
Point Group Symmetry |
C1
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Synonyms
|
- n-[2-[4-[[3-butyl-5-keto-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonylbenzamide
|
InChIKey |
JVOGASLNIGJLLS-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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