Geometry & MOs

Info

ID:	292586
PubChem CID:	117355906
Reduced:	NSO2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	241.11365
ΔH_f, kcal/mol:	-64.83
Dipole, Da:	3.26
IP(EA), eV:	-8.3(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,5-dimethyl-2-methylsulfonylphenyl)propan-1-amine

Drug info:

PubChemData

Smile

CC(CN)C1=C(C(=CC(=C1)OC)SC)OC

DOS

IR

Vibrations