5-{1-[2-(1H-Imidazol-4-Yl)Ethyl]-2-Oxo-2,5-Dihydro-1H-Pyrrol-3-Yl}-2-{2-[(2S,4Ar)-1,2,5,5-Tetramethyl-1,2,3,4,4A,5,6,7-Octahydro-1-Naphthalenyl]Ethyl}Pentyl Hydrogen Sulfate

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Formula C30H47N3O5S
IUPAC Name [(2r)-2-[2-[(1s,2s,4ar)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-5-[1-(2-imidazol-3-ium-4-ylium-4-ylethyl)-5-oxo-2h-pyrrol-4-yl]pentyl] hydrogen sulfate
Molecular Mass 561.776 g·mol−1
Heat of Formation -981.0 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 701.92 Å 3
Surface Area 482.39 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
InChIKey IAJOBCOCHZRJMA-CSYFSRKCSA-N
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