Geometry & MOs

Info

ID:	152890
PubChem CID:	56311976
Reduced:	NSO4C19H21 (1)
Stoich.:	ABC4D19E21 (1)
Weight, g/mol:	359.155515
ΔH_f, kcal/mol:	-110.68
Dipole, Da:	8.91
IP(EA), eV:	-8.83(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CCN(C2)S(=O)(=O)C3=CC4=C(C=C3)OCC4

DOS

IR

Vibrations