Formula |
C29H29Cl2FN2O4 |
IUPAC Name |
n-[2-chloro-5-[(3s,4r)-1-[(3r)-4-(4-chlorophenyl)-3-hydroxy-butanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]phenyl]-2-(4-fluorophenyl)acetamide |
Molecular Mass |
559.456 g·mol−1 |
Heat of Formation |
-817.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.71 ± 1.08 D |
Volume |
642.49 Å 3 |
Surface Area |
532.22 Å 2 |
HOMO Energy |
-9.41 ± 0.55 eV |
LUMO Energy |
-0.61 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
LMARVLAZWJAMGJ-NQHRYMMQSA-N |
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Elements |
C
F
H
Cl
O
N
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