(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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Properties Simple | Detailed

Formula C30H40N4O5
IUPAC Name [(1r,13r)-13-[(4-hydroxyphenyl)methyl]-12,20-dioxo-2,6,11,21-tetrazatricyclo[9.7.6.114,18]pentacosa-14,16,18(25)-trien-15-yl] acetate
Molecular Mass 536.662 g·mol−1
Heat of Formation -846.5 ± 16.7 kJ·mol−1
Dipole Moment 8.53 ± 1.08 D
Volume 655.27 Å 3
Surface Area 462.92 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
InChIKey LSZMIIMBHCIRKT-KAYWLYCHSA-N
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