Formula |
C25H28N2O8 |
IUPAC Name |
ethyl 2-[3-[(2r)-3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-2-cyano-anilino]-2-oxo-acetate |
Molecular Mass |
484.498 g·mol−1 |
Heat of Formation |
-1159.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.74 ± 1.08 D |
Volume |
576.32 Å 3 |
Surface Area |
474.33 Å 2 |
HOMO Energy |
-9.10 ± 0.55 eV |
LUMO Energy |
-0.99 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
YVWIVKLECIZSHZ-MRXNPFEDSA-N |
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Elements |
H
C
O
N
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