N,N-Diethyl-N'-(6-Methylergolin-8A-Yl)Sulfamide

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Properties Simple | Detailed

Formula C19H28N4O2S
IUPAC Name (6ar,7r,9s,10ar)-9-(diethylsulfamoylamino)-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-4-ium
Molecular Mass 376.516 g·mol−1
Heat of Formation -211.7 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 450.95 Å 3
Surface Area 370.79 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • cq 32-084
  • cq 32084
  • etisulergine
  • n,n-diethyl-n'-(6-methylergolin-8alpha-yl)sulfamide
InChIKey YHEIHLVIKSTGJE-YXJHDRRASA-N
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