(3R,4S,5S,6R)-2,7-Dibenzyl-3,6-Bis(Phenoxymethyl)-1,2,7-Thiadiazepane-4,5-Diol 1,1-Dioxide

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Formula C32H34N2O6S
IUPAC Name (2s,3r,4s,5s,6r,7r)-2,7-dibenzyl-1,1-dioxo-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepane-4,5-diol
Molecular Mass 574.687 g·mol−1
Heat of Formation -599.0 ± 16.7 kJ·mol−1
Dipole Moment 1.46 ± 1.08 D
Volume 666.31 Å 3
Surface Area 499.87 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 2.69 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4s,5s,6r)-1,1-dioxo-3,6-bis(phenoxymethyl)-2,7-bis(phenylmethyl)-1,2,7-thiadiazepane-4,5-diol
  • (3r,4s,5s,6r)-2,7-bis(benzyl)-1,1-diketo-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepane-4,5-diol
  • (3r,4s,5s,6r)-2,7-dibenzyl-3,6-bis(phenoxymethyl)-4,5-dihydroxy-1,2,7-thiadiazepane, 1,1-dioxide
  • 2,7-dibenzyl-1,1-dioxo-3,6-bis-phenoxymethyl-[1,2,7]thiadiazepane-4,5-diol
  • cyclic sulfamide 4
  • thiadiazaperhydroepine deriv.
InChIKey CAGHBXQSDLNCES-ZRTHHSRSSA-N
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