Geometry & MOs

Info

ID:	152892
PubChem CID:	56311979
Reduced:	NSCl2O3C17H17 (1)
Stoich.:	ABC2D3E17F17 (1)
Weight, g/mol:	367.124215
ΔH_f, kcal/mol:	-87.05
Dipole, Da:	3.81
IP(EA), eV:	-8.8(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-1-naphthalen-2-ylsulfonylpyrrolidine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations