Formula |
C24H22F3N7O2 |
IUPAC Name |
(2s)-2-amino-n-[[3-[(3z)-3-[5-(1h-indol-4-yl)-3h-1,3,4-oxadiazol-2-ylidene]-5-(trifluoromethyl)-1h-pyrazol-2-yl]phenyl]methyl]propanamide |
Molecular Mass |
497.472 g·mol−1 |
Heat of Formation |
3041.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
9.36 ± 1.08 D |
Volume |
485.06 Å 3 |
Surface Area |
431.46 Å 2 |
HOMO Energy |
-9.05 ± 0.55 eV |
LUMO Energy |
-3.52 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
AIYASLHMGKXCHQ-NTBIESDESA-N |
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Elements |
C
F
O
N
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