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 -268.4 ± 16.7 kJ·mol−1
Dipole Moment 6.71 ± 1.08 D
Volume 456.01 Å 3
Surface Area 354.73 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-3-isobutyl-6-methyl-4-(3-nitrophenyl)-4,7-dihydrothieno[3,2-e]pyridine-5-carboxylic acid methyl ester
  • methyl (4s)-3-isobutyl-6-methyl-4-(3-nitrophenyl)-4,7-dihydrothieno[3,2-e]pyridine-5-carboxylate
  • methyl (4s)-6-methyl-3-(2-methylpropyl)-4-(3-nitrophenyl)-4,7-dihydrothieno[3,2-e]pyridine-5-carboxylate
CAS Number(s)
  • 120056-57-7
InChIKey UTLPUICHKZBRCI-KRWDZBQOSA-N
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