Geometry & MOs

Info

ID:	265707
PubChem CID:	103541176
Reduced:	ClNSO3C8H16 (1)
Stoich.:	ABCD3E8F16 (1)
Weight, g/mol:	337.055085
ΔH_f, kcal/mol:	-147.11
Dipole, Da:	3.35
IP(EA), eV:	-9.83(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(chloromethyl)-5-fluorophenyl]sulfonyl-3,4-dimethoxypyrrolidine

Drug info:

PubChemData

Smile

CC(CCl)S(=O)(=O)N1CCC(C1)OC

DOS

IR

Vibrations