Geometry & MOs

Info

ID:	127945
PubChem CID:	51024113
Reduced:	SN2O4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	359.169685
ΔH_f, kcal/mol:	-158.27
Dipole, Da:	4.29
IP(EA), eV:	-8.86(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S,5S,6S)-3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octan-6-ol

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N(CC(=O)N[C@H]2C[C@@H]3CC[C@H]2C3)S(=O)(=O)C

DOS

IR

Vibrations