3-{3-[(3-Hydroxy-2-Phenylpropanoyl)Oxy]-8-Methyl-8-Azoniabicyclo[3.2.1]Oct-8-Yl}-1-Propanesulfonate

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Formula C20H29NO6S
IUPAC Name 3-[(1r,5s)-3-[(2s)-3-hydroxy-2-phenyl-propanoyl]oxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl]propane-1-sulfonate
Molecular Mass 411.512 g·mol−1
Heat of Formation -947.1 ± 16.7 kJ·mol−1
Dipole Moment 14.28 ± 1.08 D
Volume 474.95 Å 3
Surface Area 387.36 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
InChIKey PIWAVOGXKRZQCB-TWHPPBISSA-N
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