Formula |
C29H35F3N2O3 |
IUPAC Name |
1-[[2-ethyl-4-[rac-(e)-n-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-c-methyl-carbonimidoyl]phenyl]methyl]azetidine-3-carboxylic acid |
Molecular Mass |
516.595 g·mol−1 |
Heat of Formation |
-941.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.75 ± 1.08 D |
Volume |
620.44 Å 3 |
Surface Area |
525.58 Å 2 |
HOMO Energy |
-9.24 ± 0.55 eV |
LUMO Energy |
2.44 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
KIHYPELVXPAIDH-HNSNBQBZSA-N |
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Links |
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Downloads |
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Elements |
H
C
N
O
F
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