(1R,2R,12R,13S,16Z)-13-Hydroxy-25-(8-Hydroxy-9H-β-Carbolin-1-Yl)-11,22-Diazapentacyclo[11.11.2.1~2,22~.0~2,12~.0~4,11~]Heptacosa-16,25-Dien-7-One

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Formula C36H47N4O3
IUPAC Name (1r,2r,12r,13s,16z)-13-hydroxy-25-(8-hydroxy-9h-β-carbolin-1-yl)-11,22-diazapentacyclo[11.11.2.1 2,22 .0 2,12 .0 4,11 ]heptacosa-16,25-dien-7-one
Molecular Mass 583.783 g·mol−1
Heat of Formation 487.2 ± 16.7 kJ·mol−1
Dipole Moment 5.57 ± 1.08 D
Volume 696.59 Å 3
Surface Area 509.11 Å 2
HOMO Energy -5.10 ± 0.55 eV
LUMO Energy -3.15 ± eV
Point Group Symmetry C1
InChIKey KYLZDBBEWRTKTG-ZUKYMRCBSA-N
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