(1R,2R,4S,12R,13S,16Z)-25-(9H-β-Carbolin-1-Yl)-13-Hydroxy-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 C30H26N4O2
IUPAC Name (1r,2r,12r,13s,16z)-25-(9h-β-carbolin-1-yl)-13-hydroxy-11,22-diazapentacyclo[11.11.2.1 2,22 .0 2,12 .0 4,11 ]heptacosa-16,25-dien-7-one
Molecular Mass 474.553 g·mol−1
Heat of Formation -17.0 ± 16.7 kJ·mol−1
Dipole Moment 8.61 ± 1.08 D
Volume 680.33 Å 3
Surface Area 489.41 Å 2
HOMO Energy -8.23 ± 0.55 eV
LUMO Energy 2.14 ± eV
Point Group Symmetry C1
InChIKey LTHULOBARTYAMF-USXRKNPRSA-N
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