(11R,17S,18S)-17-(4-Hydroxyphenyl)-16-Oxa-1,6,10,23-Tetraazatetracyclo[9.8.6.2~12,15~.0~14,18~]Heptacosa-12,14,26-Triene-19,24-Dione

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Formula C28H36N4O4
IUPAC Name (11r,17s,18s)-17-(4-hydroxyphenyl)-16-oxa-1,6,10,23-tetraazatetracyclo[9.8.6.2 12,15 .0 14,18 ]heptacosa-12,14,26-triene-19,24-dione
Molecular Mass 492.610 g·mol−1
Heat of Formation -566.6 ± 16.7 kJ·mol−1
Dipole Moment 6.14 ± 1.08 D
Volume 587.63 Å 3
Surface Area 429.64 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
CAS Number(s)
  • 69721-57-9
InChIKey ASCIWXOCZAWSON-DURWQBQJSA-N
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