Geometry & MOs

Info

ID:	276042
PubChem CID:	103820127
Reduced:	NSO4C16H25 (1)
Stoich.:	ABC4D16E25 (1)
Weight, g/mol:	223.087829
ΔH_f, kcal/mol:	-193.88
Dipole, Da:	4.61
IP(EA), eV:	-9.35(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl(2-propylsulfonylethyl)amino]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(S1)C(C(=O)O)N(C)C(=O)OC(C)(C)C

DOS

IR

Vibrations