Geometry & MOs

Info

ID:	292945
PubChem CID:	117365835
Reduced:	NO2S2C10H15 (1)
Stoich.:	AB2C2D10E15 (1)
Weight, g/mol:	245.054421
ΔH_f, kcal/mol:	-65.59
Dipole, Da:	3.49
IP(EA), eV:	-9.03(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylsulfanyl-3-methylsulfonylphenyl)ethanamine

Drug info:

PubChemData

Smile

CSC1=C(C=CC=C1S(=O)(=O)C)CCN

DOS

IR

Vibrations