N-[(4-Chlorophenyl)Methyl]-7-Methyl-2-(Morpholinomethyl)-4-Oxo-Thieno[2,3-B]Pyridin-7-Ium-3A-Ide-5-Carboxamide

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Formula C21H25ClN3O3S
IUPAC Name n-[(4-chlorophenyl)methyl]-7-methyl-2-(morpholinomethyl)-4-oxo-3h-thieno[2,3-b]pyridin-7-ium-2,3,3a-triide-5-carboxamide
Molecular Mass 434.959 g·mol−1
Heat of Formation -258.7 ± 16.7 kJ·mol−1
Dipole Moment 8.27 ± 1.08 D
Volume 488.7 Å 3
Surface Area 423.82 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -1.44 ± eV
Point Group Symmetry C1
InChIKey JMDPERIAOGFNDP-UHFFFAOYSA-O
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