(1R,1'R,12S,13R,13'S,14E,14'E,17'R,19S,19'S,21S,21'S)-14,14'-Diethylidene-10,17'-Bi(8,16-Diazahexacyclo[11.5.2.1~1,8~.0~2,7~.0~12,21~.0~16,19~]Henicosane)-2,2',4,4',6,6',10,11'-Octaene-9,9'-Dione

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Formula C35H32N4O2
IUPAC Name (1r,1'r,12s,13r,13's,14e,14'e,17'r,19s,19's,21s,21's)-14,14'-diethylidene-10,17'-bi(8,16-diazahexacyclo[11.5.2.1 1,8 .0 2,7 .0 12,21 .0 16,19 ]henicosane)-2,2',4,4',6,6',10,11'-octaene-9,9'-dione
Molecular Mass 540.654 g·mol−1
Heat of Formation 137.8 ± 16.7 kJ·mol−1
Dipole Moment 5.97 ± 1.08 D
Volume 752.9 Å 3
Surface Area 535.31 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy 2.79 ± eV
Point Group Symmetry C1
Synonyms
  • isosungucine
InChIKey YUHHQTGJEOQYDV-RARADXCZSA-N
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