Geometry & MOs

Info

ID:	265712
PubChem CID:	103541267
Reduced:	ClSN2O4C13H21 (1)
Stoich.:	ABC2D4E13F21 (1)
Weight, g/mol:	314.130028
ΔH_f, kcal/mol:	-154.44
Dipole, Da:	8.36
IP(EA), eV:	-9.16(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-methoxypyrrolidin-1-yl)sulfonylphenoxy]propan-1-amine

Drug info:

PubChemData

Smile

CCN1C=C(C=C1CCl)S(=O)(=O)N2CC(C(C2)OC)OC

DOS

IR

Vibrations