Geometry & MOs

Info

ID:	286548
PubChem CID:	104171001
Reduced:	NSF3O3C11H14 (1)
Stoich.:	ABC3D3E11F14 (1)
Weight, g/mol:	247.043378
ΔH_f, kcal/mol:	-278.61
Dipole, Da:	3.34
IP(EA), eV:	-9.43(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(2-methoxypropylsulfinyl)aniline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations