Geometry & MOs

Info

ID:	296530
PubChem CID:	117581908
Reduced:	SN2O4C10H16 (1)
Stoich.:	AB2C4D10E16 (1)
Weight, g/mol:	265.134779
ΔH_f, kcal/mol:	-152.1
Dipole, Da:	3.44
IP(EA), eV:	-8.69(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2,2-dimethylpropyl(methyl)amino]methyl]-3-methylsulfonylpropanoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)CC(CNCC1=CC=CN1)C(=O)O

DOS

IR

Vibrations