Geometry & MOs

Info

ID:	293806
PubChem CID:	117402728
Reduced:	NO2S2C11H17 (1)
Stoich.:	AB2C2D11E17 (1)
Weight, g/mol:	259.070071
ΔH_f, kcal/mol:	-69.37
Dipole, Da:	4.92
IP(EA), eV:	-8.99(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylsulfanyl-3-methylsulfonylphenyl)propan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations