Methyl (4S)-3-Isobutyl-6-Methyl-4-(3-Nitrophenyl)-4,7-Dihydrothieno[2,3-B]Pyridine-5-Carboxylate

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Formula C20H22N2O4S
IUPAC Name methyl (4s)-3-isobutyl-6-methyl-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate
Molecular Mass 386.465 g·mol−1
Heat of Formation -260.9 ± 16.7 kJ·mol−1
Dipole Moment 6.87 ± 1.08 D
Volume 451.94 Å 3
Surface Area 362.77 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
InChIKey WQKGEUXIWRAJJR-KRWDZBQOSA-N
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