1,6-Dimethyl-8A-(N,N-Dimethylsulfamoylamino)Ergoline

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Properties Simple | Detailed

Formula C18H26N4O2S
IUPAC Name (6ar,7r,9s,10ar)-9-(dimethylsulfamoylamino)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-4-ium
Molecular Mass 362.490 g·mol−1
Heat of Formation -162.6 ± 16.7 kJ·mol−1
Dipole Moment 7.35 ± 1.08 D
Volume 431.88 Å 3
Surface Area 357.94 Å 2
HOMO Energy -8.19 ± 0.55 eV
LUMO Energy 0.06 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(1,6-dimethyl-8alpha-ergolinyl)-1,1-dimethylsulfamid
  • cq 32085
  • mesulergine
  • n'-(1,6-dimethylergolin-8alpha-yl)-n,n-dimethylsulfamide
InChIKey JLVHTNZNKOSCNB-YSVLISHTSA-N
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