Geometry & MOs

Info

ID:	286562
PubChem CID:	104171055
Reduced:	NSO4C11H17 (1)
Stoich.:	ABC4D11E17 (1)
Weight, g/mol:	263.038292
ΔH_f, kcal/mol:	-154.45
Dipole, Da:	4.46
IP(EA), eV:	-8.54(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-(2-methoxypropylsulfonyl)aniline

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)C1=C(C=CC(=C1)OC)N)OC

DOS

IR

Vibrations