5,10-Bis[(4-Methylphenyl)Sulfonyl]-5,6,7,8,9,10,15,17-Octahydrodibenzo[C,K][1,5,10]Oxadiazacyclotridecine

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Formula C32H34N2O5S2
IUPAC Name 5,10-bis[(4-methylphenyl)sulfonyl]-5,6,7,8,9,10,15,17-octahydrodibenzo[c,k][1,5,10]oxadiazacyclotridecine
Molecular Mass 590.753 g·mol−1
Heat of Formation -530.2 ± 16.7 kJ·mol−1
Dipole Moment 9.15 ± 1.08 D
Volume 678.33 Å 3
Surface Area 463.99 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 2.29 ± eV
Point Group Symmetry C1
Synonyms
  • corrigendum
CAS Number(s)
  • 107933-32-4
InChIKey XBSLHVDTLLLOEL-UHFFFAOYSA-N
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