Aplidinone A

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Formula C19H25NO5S
IUPAC Name 6-[(2e)-3,7-dimethylocta-2,6-dienyl]-7-methoxy-1,1-dioxo-3,4-dihydro-2h-1λ6,4-benzothiazine-5,8-dione
Molecular Mass 379.471 g·mol−1
Heat of Formation -706.6 ± 16.7 kJ·mol−1
Dipole Moment 5.74 ± 1.08 D
Volume 450.7 Å 3
Surface Area 335.88 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -1.72 ± eV
Point Group Symmetry C1
Synonyms
  • 6-[(2e)-3,7-dimethylocta-2,6-dienyl]-1,1-diketo-7-methoxy-3,4-dihydro-2h-benzo[b][1,4]thiazine-5,8-quinone
  • 6-[(2e)-3,7-dimethylocta-2,6-dienyl]-7-methoxy-1,1-dioxo-3,4-dihydro-2h-benzo[b][1,4]thiazine-5,8-dione
InChIKey MTOMQQYCVUGPRP-MDWZMJQESA-N
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