(1R,4R,7R,10R)-4,10-Dibenzyl-1,7-Bis(Hydroxymethyl)-5,11-Dimethyl-2,3,8,9-Tetrathia-5,11,13,15-Tetraazatricyclo[8.2.2.2~4,7~]Hexadecane-6,12,14,16-Tetrone

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Formula C26H28N4O6S4
IUPAC Name (1r,4r,7r,10r)-4,10-dibenzyl-1,7-bis(hydroxymethyl)-5,11-dimethyl-2,3,8,9-tetrathia-5,11,13,15-tetrazatricyclo[8.2.2.24,7]hexadecane-6,12,14,16-tetrone
Molecular Mass 620.784 g·mol−1
Heat of Formation -807.6 ± 16.7 kJ·mol−1
Dipole Moment 1.02 ± 1.08 D
Volume 653.11 Å 3
Surface Area 441.52 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -1.66 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3,8,9-tetrathia-5,11,13,15-tetraazatricyclo[8.2.2.2~4,7~]hexadecane-6,12,14,16-tetrone, 1,7-bis(hydroxymethyl)-5,11-dimethyl-4,10-bis(phenylmethyl)-, (1r,4r,7r,10r)-
  • vertihemiptellide a
InChIKey KXIZPSCHKWRWDA-VEYUFSJPSA-N
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