1-[(6R,7R)-6-Hydroxy-5,5-Dimethyl-2-Nitro-6,7-Dihydro-5H-Thieno[3,2-B]Pyran-7-Yl]-2-Piperidinone

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Formula C14H18N2O5S
IUPAC Name 1-[(6r,7r)-6-hydroxy-5,5-dimethyl-2-nitro-6,7-dihydrothieno[3,2-b]pyran-7-yl]piperidin-2-one
Molecular Mass 326.368 g·mol−1
Heat of Formation -503.9 ± 16.7 kJ·mol−1
Dipole Moment 8.87 ± 1.08 D
Volume 359.71 Å 3
Surface Area 299.68 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(6r,7r)-6-hydroxy-5,5-dimethyl-2-nitro-6,7-dihydrothieno[2,3-e]pyran-7-yl]-2-piperidinone
  • 1-[(6r,7r)-6-hydroxy-5,5-dimethyl-2-nitro-6,7-dihydrothieno[2,3-e]pyran-7-yl]-2-piperidone
  • 1-[(6r,7r)-6-hydroxy-5,5-dimethyl-2-nitro-6,7-dihydrothieno[2,3-e]pyran-7-yl]piperidin-2-one
InChIKey QPFLGGHDOFTBOK-WCQYABFASA-N
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