Formula |
C19H26F3N3O3 |
IUPAC Name |
(3r)-4-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(tert-butoxymethyl)piperazin-2-one |
Molecular Mass |
401.423 g·mol−1 |
Heat of Formation |
-1112.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.15 ± 1.08 D |
Volume |
476.6 Å 3 |
Surface Area |
369.63 Å 2 |
HOMO Energy |
-9.41 ± 0.55 eV |
LUMO Energy |
-0.53 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
LCDDAGSJHKEABN-MLGOLLRUSA-N |
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Elements |
H
C
N
O
F
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