Geometry & MOs

Info

ID:	265708
PubChem CID:	103541246
Reduced:	ClFNSO4C13H17 (1)
Stoich.:	ABCDE4F13G17 (1)
Weight, g/mol:	326.106706
ΔH_f, kcal/mol:	-194.22
Dipole, Da:	3.69
IP(EA), eV:	-9.78(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-1-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpiperidine

Drug info:

PubChemData

Smile

COC1CN(CC1OC)S(=O)(=O)C2=C(C=CC(=C2)F)CCl

DOS

IR

Vibrations