Formula |
C29H18Cl3N3O6 |
IUPAC Name |
5-[4-[[[4-(5-carboxy-2-furyl)-2-chloro-benzoyl]amino]methyl]phenyl]-1-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid |
Molecular Mass |
610.829 g·mol−1 |
Heat of Formation |
-490.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.34 ± 1.08 D |
Volume |
651.01 Å 3 |
Surface Area |
559.34 Å 2 |
HOMO Energy |
-9.71 ± 0.55 eV |
LUMO Energy |
-1.60 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
KMDVWGXHTUXJOW-UHFFFAOYSA-N |
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Elements |
H
C
Cl
O
N
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