(1R,5S)-7-Benzyl-3-Thia-7-Azabicyclo[3.3.1]Nonan-9-One

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Properties Simple | Detailed

Formula C14H17NOS
IUPAC Name (1r,5s)-7-benzyl-3-thia-7-azabicyclo[3.3.1]nonan-9-one
Molecular Mass 247.356 g·mol−1
Heat of Formation -22.1 ± 16.7 kJ·mol−1
Dipole Moment 2.47 ± 1.08 D
Volume 302.36 Å 3
Surface Area 257.18 Å 2
HOMO Energy -8.16 ± 0.55 eV
LUMO Energy 3.18 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,5s)-7-(benzyl)-3-thia-7-azabicyclo[3.3.1]nonan-9-one
  • (1r,5s)-7-(phenylmethyl)-3-thia-7-azabicyclo[3.3.1]nonan-9-one
InChIKey ONSHXQWGCKFQFZ-BETUJISGSA-N
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