(1S,2R,10R,12R,13R,21Z)-26-(9H-β-Carbolin-1-Yl)-28-Oxa-3,16-Diazahexacyclo[11.11.2.1~1,10~.1~12,16~.0~2,12~.0~3,10~]Octacosa-21,25-Dien-7-One

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Formula C36H42N4O2
IUPAC Name (1s,2r,10r,12r,13r,21z)-26-(9h-β-carbolin-1-yl)-28-oxa-3,16-diazahexacyclo[11.11.2.1 1,10 .1 12,16 .0 2,12 .0 3,10 ]octacosa-21,25-dien-7-one
Molecular Mass 562.744 g·mol−1
Heat of Formation 6.3 ± 16.7 kJ·mol−1
Dipole Moment 2.49 ± 1.08 D
Volume 676.09 Å 3
Surface Area 485.31 Å 2
HOMO Energy -8.14 ± 0.55 eV
LUMO Energy 2.38 ± eV
Point Group Symmetry C1
InChIKey XYMOBPPDZDVIQE-QXOYQAQRSA-N
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