5-(4-{[3-(2,6-Dichlorophenyl)-5-Isopropyl-1,2-Oxazol-4-Yl]Methoxy}Phenyl)-1H-Indole-2-Carboxylic Acid

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Properties Simple | Detailed

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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Elements H C N O Cl