(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
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |