Propyl 6-Ethyl-5-[(Ethylsulfanyl)Carbonyl]-2-Phenyl-4-Propylnicotinate

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Properties Simple | Detailed

Formula C23H29NO3S
IUPAC Name propyl 6-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-pyridine-3-carboxylate
Molecular Mass 399.546 g·mol−1
Heat of Formation -486.6 ± 16.7 kJ·mol−1
Dipole Moment 2.16 ± 1.08 D
Volume 508.33 Å 3
Surface Area 423.86 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • 3-propyl-6-ethyl-5-[(ethylthio)carbonyl]-2 phenyl-4-propyl-3-pyridine carboxylate
  • 6-ethyl-5-(ethylthio)carbonyl-2-phenyl-4-propyl-nicotinic acid propyl ester
  • 6-ethyl-5-[(ethylthio)-oxomethyl]-2-phenyl-4-propyl-3-pyridinecarboxylic acid propyl ester
  • mrs 1523
  • mrs1523
  • propyl 6-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propylpyridine-3-carboxylate
InChIKey UUSHFEVEROROSP-UHFFFAOYSA-N
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