Formula |
C25H28BrN4O6P |
IUPAC Name |
[3-[[2-[(2-amino-1-methyl-2-oxo-ethyl)amino]-1-methyl-2-oxo-ethyl]amino]-3-oxo-2-[(3-phenylisoxazol-5-yl)methyl]propyl]-(4-bromophenyl)phosphinic acid |
Molecular Mass |
591.391 g·mol−1 |
Heat of Formation |
-842.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.89 ± 1.08 D |
Volume |
639.39 Å 3 |
Surface Area |
550.88 Å 2 |
HOMO Energy |
-9.35 ± 0.55 eV |
LUMO Energy |
-1.04 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
HXHLWPVBBLIGJV-XYJFISCASA-N |
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Links |
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Elements |
C
H
O
N
P
Br
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