(1S,5S)-1,8,8-Trimethyl-3-(1,3-Thiazol-2-Yl)-3-Azabicyclo[3.2.1]Octane-2,4-Dione

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Formula C13H16N2O2S
IUPAC Name (1s,5r)-1,8,8-trimethyl-3-thiazol-2-yl-3-azabicyclo[3.2.1]octane-2,4-dione
Molecular Mass 264.343 g·mol−1
Heat of Formation -258.9 ± 16.7 kJ·mol−1
Dipole Moment 3.99 ± 1.08 D
Volume 307.78 Å 3
Surface Area 253.6 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,5r)-1,8,8-trimethyl-3-(1,3-thiazol-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione
  • (1s,5r)-1,8,8-trimethyl-3-(2-thiazolyl)-3-azabicyclo[3.2.1]octane-2,4-dione
  • (1s,5r)-1,8,8-trimethyl-3-thiazol-2-yl-3-azabicyclo[3.2.1]octane-2,4-dione
  • (1s,5r)-1,8,8-trimethyl-3-thiazol-2-yl-3-azabicyclo[3.2.1]octane-2,4-quinone
InChIKey FYWRQJCVHTUURG-ISVAXAHUSA-N
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