Geometry & MOs

Info

ID:	249557
PubChem CID:	103090437
Reduced:	NSO3C12H23 (1)
Stoich.:	ABC3D12E23 (1)
Weight, g/mol:	235.087829
ΔH_f, kcal/mol:	-148.29
Dipole, Da:	5.34
IP(EA), eV:	-8.64(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[carboxymethyl(4-methylsulfanylbutyl)amino]acetic acid

Drug info:

PubChemData

Smile

CSCCCCN1CCC(CC1)OCC(=O)O

DOS

IR

Vibrations