(4S,6S)-6-Methyl-4-(Methylamino)-5,6-Dihydro-4H-Thieno[2,3-B]Thiopyran-2-Sulfonamide 7,7-Dioxide

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Formula C9H14N2O4S3
IUPAC Name (4s,6s)-6-methyl-4-(methylamino)-7,7-dioxo-5,6-dihydro-4h-thieno[2,3-b]thiopyran-2-sulfonamide
Molecular Mass 310.413 g·mol−1
Heat of Formation -559.9 ± 16.7 kJ·mol−1
Dipole Moment 6.76 ± 1.08 D
Volume 315.64 Å 3
Surface Area 279.14 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 1.60 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,6s)-7,7-diketo-6-methyl-4-methylamino-5,6-dihydro-4h-thieno[5,4-b]thiopyran-2-sulfonamide
  • (4s-trans)-4-(methylamino)-5,6-dihydro-6-methyl-4h-thieno(2,3-b)thiopyran-2-sulfonamide-7,7-dioxide
  • mts
InChIKey PYXFWOIZPYXNRU-FSPLSTOPSA-N
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