Formula |
C18H16F3N3O5 |
IUPAC Name |
4-[[(1r,2s)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino]-2-(trifluoromethyl)benzonitrile |
Molecular Mass |
411.332 g·mol−1 |
Heat of Formation |
-952.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
12.70 ± 1.08 D |
Volume |
443.72 Å 3 |
Surface Area |
391.81 Å 2 |
HOMO Energy |
-9.41 ± 0.55 eV |
LUMO Energy |
1.69 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
INVUBEGZQHQAMY-SJORKVTESA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
N
O
F
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