Formula |
C22H27F3N2O4 |
IUPAC Name |
(6r)-6-[[(2r)-2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]amino]-n-[4-(trifluoromethyl)phenyl]heptanamide |
Molecular Mass |
440.456 g·mol−1 |
Heat of Formation |
-1351.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.53 ± 1.08 D |
Volume |
518.25 Å 3 |
Surface Area |
407.9 Å 2 |
HOMO Energy |
-8.74 ± 0.55 eV |
LUMO Energy |
-0.94 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZRBLJEGNAJFUPE-VLIAUNLRSA-N |
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Links |
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Elements |
H
C
N
O
F
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