(1S,2R,4S)-1,7,7-Trimethylbicyclo[2.2.1]Hept-2-Yl Thiocyanatoacetate

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Formula C13H19NO2S
IUPAC Name [(1s,2r,4s)-1,7,7-trimethylnorbornan-2-yl] 2-thiocyanatoacetate
Molecular Mass 253.360 g·mol−1
Heat of Formation -296.2 ± 16.7 kJ·mol−1
Dipole Moment 4.39 ± 1.08 D
Volume 318.68 Å 3
Surface Area 276.02 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • 2-thiocyanatoacetic acid [(1s,2r,4s)-1,7,7-trimethyl-2-norbornanyl] ester
  • [(1s,2r,4s)-1,7,7-trimethylnorbornan-2-yl] 2-thiocyanatoacetate
  • [(1s,4s,6r)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] 2-thiocyanatoethanoate
InChIKey IXEVGHXRXDBAOB-OPQQBVKSSA-N
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