Formula |
C23H13Cl2NO7S |
IUPAC Name |
3-[(2s)-2-(7-chloro-1,3-benzodioxol-5-yl)-3-(5-chlorothiophene-2-carbonyl)-4-hydroxy-5-oxo-2h-pyrrol-1-yl]benzoic acid |
Molecular Mass |
518.323 g·mol−1 |
Heat of Formation |
-703.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.55 ± 1.08 D |
Volume |
528.3 Å 3 |
Surface Area |
440.13 Å 2 |
HOMO Energy |
-9.35 ± 0.55 eV |
LUMO Energy |
-1.48 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
FYJSIGVCZLLXAT-SFHVURJKSA-N |
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Elements |
C
Cl
H
O
N
S
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