7-Ethyl-2-Methyl-4-Oxo-Thieno[2,3-B]Pyridin-7-Ium-3A-Ide-5-Carboxylic Acid

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Formula C11H14NO3S
IUPAC Name 7-ethyl-2-methyl-4-oxo-3h-thieno[2,3-b]pyridin-7-ium-2,3,3a-triide-5-carboxylic acid
Molecular Mass 240.299 g·mol−1
Heat of Formation -399.7 ± 16.7 kJ·mol−1
Dipole Moment 7.06 ± 1.08 D
Volume 264.66 Å 3
Surface Area 246.45 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 2.97 ± eV
Point Group Symmetry C1
InChIKey OOLDHYKLTFNIKV-UHFFFAOYSA-O
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