2-[Benzyl(Methyl)Amino]Ethyl 4-(2-Chloro-6-Fluorophenyl)-2-Methyl-1,4,6,7,8,9-Hexahydrothiepino[3,2-B]Pyridine-3-Carboxylate 5,5-Dioxide

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Formula C27H30ClFN2O4S
IUPAC Name 2-[benzyl(methyl)amino]ethyl (4s)-4-(2-chloro-6-fluoro-phenyl)-2-methyl-5,5-dioxo-1,4,6,7,8,9-hexahydrothiepino[3,2-b]pyridine-3-carboxylate
Molecular Mass 533.055 g·mol−1
Heat of Formation -685.7 ± 16.7 kJ·mol−1
Dipole Moment 10.43 ± 1.08 D
Volume 603.76 Å 3
Surface Area 474.51 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 2.68 ± eV
Point Group Symmetry C1
InChIKey AHYGPFWAZFOLSI-VWLOTQADSA-N
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