Geometry & MOs

Info

ID:	160006
PubChem CID:	57304373
Reduced:	OSCl2C8H8 (1)
Stoich.:	ABC2D8E8 (1)
Weight, g/mol:	225.063722
ΔH_f, kcal/mol:	-28.08
Dipole, Da:	3.49
IP(EA), eV:	-9.43(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(carboxymethylamino)-2-hydroxyphenyl]acetic acid

Drug info:

PubChemData

Smile

C1=C(SC(=C1)Cl)C(CCC=O)Cl

DOS

IR

Vibrations