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

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Formula C11H18N2O4S3
IUPAC Name (4s)-4-(isobutylamino)-7,7-dioxo-5,6-dihydro-4h-thieno[2,3-b]thiopyran-2-sulfonamide
Molecular Mass 338.467 g·mol−1
Heat of Formation -607.3 ± 16.7 kJ·mol−1
Dipole Moment 6.63 ± 1.08 D
Volume 363.41 Å 3
Surface Area 319.99 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-4-(isobutylamino)-7,7-diketo-5,6-dihydro-4h-thieno[5,4-b]thiopyran-2-sulfonamide
  • (4s)-4-(isobutylamino)-7,7-dioxo-5,6-dihydro-4h-thieno[5,4-b]thiopyran-2-sulfonamide
  • sezolamide
CAS Number(s)
  • 123308-22-5
InChIKey JFLUCCKXAYBETQ-VIFPVBQESA-N
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