Formula |
C28H22Cl2N2O4 |
IUPAC Name |
5-[4-[[3-(2,6-dichlorophenyl)-5-isopropyl-isoxazol-1-ium-2-id-4-yl]methoxy]phenyl]-4h-indol-1-ium-4-ide-2-carboxylic acid |
Molecular Mass |
521.391 g·mol−1 |
Heat of Formation |
-270.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.23 ± 1.08 D |
Volume |
579.53 Å 3 |
Surface Area |
444.64 Å 2 |
HOMO Energy |
-8.74 ± 0.55 eV |
LUMO Energy |
2.08 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
RYEIPXVNZXWZFN-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
N
O
Cl
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