Formula |
C18H15Cl2N5O4S |
IUPAC Name |
(2s)-3-(4-amino-3-nitro-phenyl)-2-[2-[4-(3,4-dichlorophenyl)thiazol-2-yl]hydrazino]propanoic acid |
Molecular Mass |
468.314 g·mol−1 |
Heat of Formation |
-47.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.80 ± 1.08 D |
Volume |
491.3 Å 3 |
Surface Area |
431.44 Å 2 |
HOMO Energy |
-8.98 ± 0.55 eV |
LUMO Energy |
-1.29 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
XPSGVIWZSZWGCS-AWEZNQCLSA-N |
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Links |
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Elements |
C
Cl
H
O
N
S
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