N-{3-[(12Bs)-7-Oxo-1,3,4,6,7,12B-Hexahydroindolo[2,3-A]Quinolizin-12(2H)-Yl]Propyl}-2-Propanesulfonamide

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Properties Simple | Detailed

Formula C21H29N3O3S
IUPAC Name n-[3-[(5r,12bs)-7-oxo-1,2,3,4,6,12b-hexahydroindolo[2,3-a]quinolizin-12-yl]propyl]propane-2-sulfonamide
Molecular Mass 403.538 g·mol−1
Heat of Formation -387.9 ± 16.7 kJ·mol−1
Dipole Moment 2.91 ± 1.08 D
Volume 486.63 Å 3
Surface Area 382.25 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • n-[3-[(12bs)-7-keto-1,2,3,4,6,12b-hexahydropyrido[2,1-a]$b-carbolin-12-yl]propyl]propane-2-sulfonamide
  • n-[3-[(12bs)-7-oxo-1,2,3,4,6,12b-hexahydroindolo[3,2-h]quinolizin-12-yl]propyl]propane-2-sulfonamide
InChIKey LICJTIDRHJECTD-SFHVURJKSA-N
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