5-{1-[2-(1H-Imidazol-4-Yl)Ethyl]-2,5-Dioxo-2,5-Dihydro-1H-Pyrrol-3-Yl}-2-[2-(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 C30H45N3O6S
IUPAC Name [(2s)-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)-2,5-dioxo-pyrrol-3-yl]pentyl] hydrogen sulfate
Molecular Mass 575.760 g·mol−1
Heat of Formation -1118.2 ± 16.7 kJ·mol−1
Dipole Moment 6.15 ± 1.08 D
Volume 707.17 Å 3
Surface Area 479.55 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 1.66 ± eV
Point Group Symmetry C1
InChIKey KYSKWYJBCHWKSD-WNKWKMONSA-N
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