Formula |
C22H23F3N4O2S |
IUPAC Name |
n-[(1s)-1-[4-methyl-5-[2-(2-methylphenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-2-(trifluoromethyl)benzamide |
Molecular Mass |
464.504 g·mol−1 |
Heat of Formation |
-659.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.19 ± 1.08 D |
Volume |
522.42 Å 3 |
Surface Area |
456.06 Å 2 |
HOMO Energy |
-8.77 ± 0.55 eV |
LUMO Energy |
1.94 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
AERPCBWEQRGXHO-HNNXBMFYSA-N |
QR Code |
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Links |
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Elements |
C
F
H
O
N
S
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