(11R,17S)-17-(4-Hydroxybenzyl)-18,23-Dioxo-1,6,10,22-Tetraazatricyclo[9.7.6.1~12,16~]Pentacosa-12(25),13,15-Trien-15-Yl Acetate

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Formula C30H19N4O5
IUPAC Name (11r,17s)-17-(4-hydroxybenzyl)-18,23-dioxo-1,6,10,22-tetraazatricyclo[9.7.6.1 12,16 ]pentacosa-12(25),13,15-trien-15-yl acetate
Molecular Mass 515.496 g·mol−1
Heat of Formation 3501.5 ± 16.7 kJ·mol−1
Dipole Moment 3.28 ± 1.08 D
Volume 486.89 Å 3
Surface Area 387.97 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
InChIKey LSZMIIMBHCIRKT-KAYWLYCHSA-N
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