(2S,5S,8R)-5,8-Dibenzyl-2-(1H-Indol-3-Ylmethyl)-1,4,7,10-Tetraazacyclotetradecane-3,6,11,14-Tetrone

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Formula C33H35N5O4
IUPAC Name (2s,5s,8r)-5,8-dibenzyl-2-(indol-1-ium-3-ylmethyl)-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone
Molecular Mass 565.662 g·mol−1
Heat of Formation -476.6 ± 16.7 kJ·mol−1
Dipole Moment 8.97 ± 1.08 D
Volume 684.42 Å 3
Surface Area 522.06 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,5s,8r)-2-(1h-indol-3-ylmethyl)-5,8-bis(phenylmethyl)-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone
  • (2s,5s,8r)-5,8-bis(benzyl)-2-(1h-indol-3-ylmethyl)-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-diquinone
InChIKey PRRYSNSLFNBYDL-IGBKUBFESA-N
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