(11S,17R,18R)-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 (11s,17r,18r)-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 -562.6 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 592.33 Å 3
Surface Area 437.32 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-1,16-etheno-5,15-(propaniminoethano)furo(3,4-l)(1,5,10)triazacyclohexadecine-4,21-dione, 3,3a,6,7,8,9,10,11,12,13,14,15-dodecahydro-3-(4-hydroxyphenyl)-, (3r,3ar,15s)-
  • orantine
CAS Number(s)
  • 71461-13-7
InChIKey ASCIWXOCZAWSON-RNJDCESWSA-N
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