Geometry & MOs

Info

ID:	46177
PubChem CID:	10522815
Reduced:	NOC11H20 (2)
Stoich.:	ABC11D20 (2)
Weight, g/mol:	364.189228
ΔH_f, kcal/mol:	-97.54
Dipole, Da:	1.79
IP(EA), eV:	-8.62(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylbicyclo[2.2.2]octan-2-ol

Drug info:

PubChemData

Smile

CCCCCCNCCOC1=CC=CC=C1OCCNCCCCCC

DOS

IR

Vibrations