Pergolide

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Properties Simple | Detailed

Formula C19H26N2S
IUPAC Name (6ar,7r,9r,10ar)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-4-ium
Molecular Mass 314.488 g·mol−1
Heat of Formation 116.1 ± 16.7 kJ·mol−1
Dipole Moment 3.24 ± 1.08 D
Volume 400.11 Å 3
Surface Area 347.76 Å 2
HOMO Energy -8.23 ± 0.55 eV
LUMO Energy 0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (6ar,9r,10ar)-9-(methylthiomethyl)-7-propyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
  • (8beta)-8-[(methylthio)methyl]-6-propylergoline
  • biomol-nt_000025
  • bpbio1_000254
  • bpbio1_001211
  • ergoline, 8-((methylthio)methyl)-6-propyl-, (8beta)-
InChIKey YEHCICAEULNIGD-MZMPZRCHSA-N
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