7-Benzyl-9-Phenyl-3-Thia-7-Azabicyclo[3.3.1]Nonan-9-Ol

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Properties Simple | Detailed

Formula C20H23NOS
IUPAC Name (1s,5r)-7-benzyl-9-phenyl-3-thia-7-azabicyclo[3.3.1]nonan-9-ol
Molecular Mass 325.468 g·mol−1
Heat of Formation 36.2 ± 16.7 kJ·mol−1
Dipole Moment 3.23 ± 1.08 D
Volume 397.06 Å 3
Surface Area 324.15 Å 2
HOMO Energy -7.78 ± 0.55 eV
LUMO Energy 2.92 ± eV
Point Group Symmetry C1
InChIKey YQDDHWHBYAKZDJ-ACDBMABISA-N
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