Formula |
C29H33ClFNO4 |
IUPAC Name |
(2r)-1-[[2-(4-chloro-3-fluoro-phenyl)-1,1-dimethyl-ethyl]amino]-3-[(1r)-1-[2-[(e)-1-methylprop-1-enyl]phenyl]ethoxy]propan-2-ol dihydrate |
Molecular Mass |
514.028 g·mol−1 |
Heat of Formation |
-881.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.42 ± 1.08 D |
Volume |
618.76 Å 3 |
Surface Area |
448.41 Å 2 |
HOMO Energy |
-9.23 ± 0.55 eV |
LUMO Energy |
2.27 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
UNFHDRVFEQPUEL-DENIHFKCSA-N |
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Elements |
C
F
H
Cl
O
N
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