N,N-Diethyl-N'-(1-Ethyl-6-Methylergolin-8-Yl)Sulfuric Diamide

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Properties Simple | Detailed

Formula C21H32N4O2S
IUPAC Name (6as,7s,9r,10as)-9-(diethylsulfamoylamino)-4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-4-ium
Molecular Mass 404.569 g·mol−1
Heat of Formation -243.7 ± 16.7 kJ·mol−1
Dipole Moment 4.05 ± 1.08 D
Volume 495.44 Å 3
Surface Area 407.31 Å 2
HOMO Energy -8.04 ± 0.55 eV
LUMO Energy 3.24 ± eV
Point Group Symmetry C1
InChIKey ARTRTLXKTHJPRW-KPFFTGBYSA-N
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