Formula |
C21H21Cl2NO5 |
IUPAC Name |
(3r)-3-(3,5-dichloro-2-hydroxy-6-methoxy-4-methyl-phenyl)-5,7-dihydroxy-4-(3-methylbut-2-enyl)isoindolin-1-one |
Molecular Mass |
438.301 g·mol−1 |
Heat of Formation |
-856.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.00 ± 1.08 D |
Volume |
480.01 Å 3 |
Surface Area |
360.59 Å 2 |
HOMO Energy |
-9.04 ± 0.55 eV |
LUMO Energy |
-0.84 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
IFONQCDBHMGEFN-GOSISDBHSA-N |
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Elements |
H
C
N
O
Cl
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