8,12-Dimethyl-7-(6-Methyl-2-Heptanyl)-16,18,20-Trioxa-17,19-Dithiapentacyclo[13.5.2.0~3,11~.0~4,8~.0~12,21~]Docosane 17,17,19,19-Tetraoxide

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Formula C27H46O7S2
IUPAC Name 8,12-dimethyl-7-(6-methyl-2-heptanyl)-16,18,20-trioxa-17,19-dithiapentacyclo[13.5.2.0 3,11 .0 4,8 .0 12,21 ]docosane 17,17,19,19-tetraoxide
Molecular Mass 546.780 g·mol−1
Heat of Formation 2925.2 ± 16.7 kJ·mol−1
Dipole Moment 7.20 ± 1.08 D
Volume 519.85 Å 3
Surface Area 424.82 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -2.47 ± eV
Point Group Symmetry C1
InChIKey IRVBMRVECPWRGI-WRFVDYIRSA-N
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