1-[(2-Chloro-3-Quinolinyl)Methyl]-6-Fluoro-5-Methyl-3-(2-Oxo-1,2-Dihydro-3-Pyridinyl)-1H-Indole-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C25H17ClFN3O3
IUPAC Name 1-[(2-chloro-3-quinolyl)methyl]-6-fluoro-5-methyl-3-(2-oxopyridin-1-ium-3-id-3-yl)indol-1-ium-5-ide-2-carboxylic acid
Molecular Mass 461.872 g·mol−1
Heat of Formation -320.7 ± 16.7 kJ·mol−1
Dipole Moment 5.85 ± 1.08 D
Volume 495.4 Å 3
Surface Area 415.6 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy 1.80 ± eV
Point Group Symmetry C1
InChIKey UZVPIJMLVISXHS-UHFFFAOYSA-N
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Elements C F H Cl O N