Formula |
C27H20ClNO7 |
IUPAC Name |
2-[4-[(2s)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-hydroxy-3-(3-methylbenzoyl)-5-oxo-2h-pyrrol-1-yl]phenyl]acetic acid |
Molecular Mass |
505.903 g·mol−1 |
Heat of Formation |
-804.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.72 ± 1.08 D |
Volume |
554.63 Å 3 |
Surface Area |
437.56 Å 2 |
HOMO Energy |
-9.14 ± 0.55 eV |
LUMO Energy |
-1.15 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
UREMFAJAZZTMEH-QHCPKHFHSA-N |
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Links |
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DOI |
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Elements |
H
C
Cl
O
N
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