Formula |
C20H25N4O6PS2 |
IUPAC Name |
(2s)-2-[3-(aminomethyl)phenyl]-3-[[(1r)-1-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-methyl-propyl]-hydroxy-phosphoryl]propanoic acid |
Molecular Mass |
512.539 g·mol−1 |
Heat of Formation |
-890.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.73 ± 1.08 D |
Volume |
571.11 Å 3 |
Surface Area |
440.47 Å 2 |
HOMO Energy |
-8.71 ± 0.55 eV |
LUMO Energy |
-2.28 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
JQWWNMPDAALMKI-HNAYVOBHSA-N |
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Links |
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Elements |
C
H
O
N
P
S
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