(1S,3S,4S)-1,2,4-Triacetoxy-5-Cyano-7-Hydroxy-3-Methyl-6,11-Dioxo-2,3,4,5,6,11-Hexahydro-1H-Benzo[B]Carbazol-4-Yl 2-Methylpropanoate

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Formula C28H26N2O11
IUPAC Name [(1r,2s,3s,4r)-1,2,4-triacetoxy-5-cyano-7-hydroxy-3-methyl-6,11-dioxo-2,3-dihydro-1h-benzo[h]carbazol-5-ium-4a-ylium-4-yl] 2-methylpropanoate
Molecular Mass 566.513 g·mol−1
Heat of Formation -1652.3 ± 16.7 kJ·mol−1
Dipole Moment 2.34 ± 1.08 D
Volume 630.25 Å 3
Surface Area 487.76 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy 1.02 ± eV
Point Group Symmetry C1
InChIKey HBEPDPXCRYTVGE-HJBCHTOCSA-N
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