Trans-3,4,4A,5,10,10A-Hexahydro-6,9-Dimethoxy-4-Propyl-2H-Naphtho(2,3-B)-1,4-Thiazine

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Formula C17H25NO2S
IUPAC Name (4r,4ar,10ar)-6,9-dimethoxy-4-propyl-2,3,4a,5,10,10a-hexahydrobenzo[g][1,4]benzothiazine
Molecular Mass 307.451 g·mol−1
Heat of Formation -268.9 ± 16.7 kJ·mol−1
Dipole Moment 3.26 ± 1.08 D
Volume 383.3 Å 3
Surface Area 326.63 Å 2
HOMO Energy -8.23 ± 0.55 eV
LUMO Energy 0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (4ar,10ar)-6,9-dimethoxy-4-propyl-2,3,4a,5,10,10a-hexahydronaphtho[3,2-b][1,4]thiazine
  • 2h-naphtho(2,3-b)-1,4-thiazine, 3,4,4a,5,10,10a-hexahydro-6,9-dimethoxy-4-propyl-, trans-
  • 6,9-dimethoxy-4-propyl-2,3,4a,5,10,10a-hexahydro-4h-naphtho(2,3-b)(1,4)thiazine
  • dphnt
CAS Number(s)
  • 116584-95-3
InChIKey YJSMLLBRHQBUOD-RHSMWYFYSA-N
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