Methyl 2-(Phenylsulfanyl)Ethyl (4R)-2,4,6-Trimethyl-1,4-Dihydro-3,5-Pyridinedicarboxylate

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Formula C19H23NO4S
IUPAC Name o3-methyl o5-(2-phenylsulfanylethyl) (4r)-2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Molecular Mass 361.455 g·mol−1
Heat of Formation -650.5 ± 16.7 kJ·mol−1
Dipole Moment 3.98 ± 1.08 D
Volume 434.33 Å 3
Surface Area 328.25 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid o5-methyl o3-[2-(phenylthio)ethyl] ester
  • o5-methyl o3-(2-phenylsulfanylethyl) (4r)-2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
  • tocris-0571
InChIKey DHCNAWNKZMNTIS-GFCCVEGCSA-N
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