Geometry & MOs

Info

ID:	265710
PubChem CID:	103541265
Reduced:	ClNS2O4C12H18 (1)
Stoich.:	ABC2D4E12F18 (1)
Weight, g/mol:	333.080157
ΔH_f, kcal/mol:	-148.95
Dipole, Da:	3.0
IP(EA), eV:	-9.41(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(chloromethyl)phenyl]methylsulfonyl]-3,4-dimethoxypyrrolidine

Drug info:

PubChemData

Smile

COC1CN(CC1OC)S(=O)(=O)C2=CC=C(S2)CCCl

DOS

IR

Vibrations