Formula |
C25H20BrClNO5P |
IUPAC Name |
(2s)-2-[[(4-bromophenyl)-hydroxy-phosphoryl]methyl]-3-[3-[4-(3-chlorophenyl)phenyl]isoxazol-5-yl]propanoic acid |
Molecular Mass |
560.761 g·mol−1 |
Heat of Formation |
-552.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.16 ± 1.08 D |
Volume |
578.05 Å 3 |
Surface Area |
497.2 Å 2 |
HOMO Energy |
-9.28 ± 0.55 eV |
LUMO Energy |
-0.92 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
FPDHTOQZULOEJD-LJQANCHMSA-N |
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Elements |
C
Cl
H
O
N
P
Br
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