Formula |
C16H12Cl2N4O7S2 |
IUPAC Name |
2,5-dichloro-4-[(4s)-3-methyl-5-oxo-4-[(e)-(4-sulfophenyl)azo]-4h-pyrazol-1-yl]benzenesulfonic acid |
Molecular Mass |
507.325 g·mol−1 |
Heat of Formation |
-713.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.63 ± 1.08 D |
Volume |
488.97 Å 3 |
Surface Area |
431.68 Å 2 |
HOMO Energy |
-9.65 ± 0.55 eV |
LUMO Energy |
-2.23 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
DWYWPBYWDAZKNX-CVTQAYBASA-N |
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Elements |
C
Cl
H
O
N
S
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