(1R,2R,4S,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 C26H24N4O3
IUPAC Name 2h-azirine-3-carbonitrile; (1e,11s)-12-ethynyl-11-[[[(2s)-oxiran-2-yl]methylamino]methyl]-2-azabicyclo[9.4.0]pentadeca-1,13-dien-3,9-diyne-6,15-dione; prop-1-yne
Molecular Mass 440.494 g·mol−1
Heat of Formation -206.2 ± 16.7 kJ·mol−1
Dipole Moment 7.82 ± 1.08 D
Volume 699.76 Å 3
Surface Area 494.8 Å 2
HOMO Energy -8.06 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
InChIKey KYLZDBBEWRTKTG-PYBBOEBHSA-N
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