Geometry & MOs

Info

ID:	203677
PubChem CID:	79858362
Reduced:	SN2O4C10H22 (1)
Stoich.:	AB2C4D10E22 (1)
Weight, g/mol:	280.145678
ΔH_f, kcal/mol:	-188.13
Dipole, Da:	8.34
IP(EA), eV:	-8.9(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methyl(2-methylsulfonylethyl)amino]-2-(propylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(CCN(C)CCS(=O)(=O)C)(C(=O)OC)N

DOS

IR

Vibrations