Formula |
C21H24Cl2N2O2 |
IUPAC Name |
(3r)-3-amino-4-(4-chlorophenyl)-1-[(3s,4r)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one |
Molecular Mass |
407.333 g·mol−1 |
Heat of Formation |
-313.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.38 ± 1.08 D |
Volume |
480.32 Å 3 |
Surface Area |
416.38 Å 2 |
HOMO Energy |
-9.33 ± 0.55 eV |
LUMO Energy |
-0.85 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZFSKJGRASNTEBX-NSISKUIASA-N |
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Links |
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Elements |
H
C
N
O
Cl
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