Formula |
C29H19Cl2N3O5S |
IUPAC Name |
5-[4-[[[4-(5-carboxy-2-furyl)benzenecarbothioyl]amino]methyl]phenyl]-1-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid |
Molecular Mass |
592.449 g·mol−1 |
Heat of Formation |
-201.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.77 ± 1.08 D |
Volume |
643.75 Å 3 |
Surface Area |
552.47 Å 2 |
HOMO Energy |
-8.60 ± 0.55 eV |
LUMO Energy |
1.43 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
KWYNKWNVQJPKES-UHFFFAOYSA-N |
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Elements |
C
Cl
H
O
N
S
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