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 C30H38N3O5S
IUPAC Name 1-[2-(1,5-dihydroimidazol-3-ium-5-id-4-yl)ethynyl]-4-[(2e,4z,5e)-6-[(3s,4r)-2,4-dimethyl-3-vinyl-3,4,5,7-tetrahydroindene-5,7-diid-1-yl]-4-(hydroxymethylene)hexa-2,5-dienyl]-2h-pyrrol-5-one; hydron; methane; sulfurous acid
Molecular Mass 568.832 g·mol−1
Heat of Formation -693.6 ± 16.7 kJ·mol−1
Dipole Moment 5.95 ± 1.08 D
Volume 841.58 Å 3
Surface Area 580.47 Å 2
HOMO Energy -7.90 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
InChIKey IAJOBCOCHZRJMA-KCUJWJGTSA-N
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