Isopropyl 3-[[Benzyl(Methyl)Amino]Methyl]-7-[(2,6-Difluorophenyl)Methyl]-2-[4-(2-Methylpropanoylamino)Phenyl]-4-Oxo-Thieno[2,3-B]Pyridin-7-Ium-3A-Ide-5-Carboxylate

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Properties Simple | Detailed

Formula C37H37F2N3O4S
IUPAC Name isopropyl 3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-2-[4-(2-methylpropanoylamino)phenyl]-4-oxo-thieno[2,3-b]pyridin-7-ium-2,3,3a-triide-5-carboxylate
Molecular Mass 657.769 g·mol−1
Heat of Formation -736.4 ± 16.7 kJ·mol−1
Dipole Moment 4.93 ± 1.08 D
Volume 769.91 Å 3
Surface Area 584.15 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy 1.93 ± eV
Point Group Symmetry C1
InChIKey DGXJQRMXMXIEJR-UHFFFAOYSA-O
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