N,N-Diethyl-N'-[(8α,10Xi)-6-Propylergolin-8-Yl]Sulfuric Diamide

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Formula C21H32N4O2S
IUPAC Name (6ar,7s,9s,10as)-9-(diethylsulfamoylamino)-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-4-ium
Molecular Mass 404.569 g·mol−1
Heat of Formation -262.4 ± 16.7 kJ·mol−1
Dipole Moment 4.92 ± 1.08 D
Volume 491.77 Å 3
Surface Area 413.47 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
InChIKey WXDTTZQKSMHWCD-XKGZKEIXSA-N
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