Geometry & MOs

Info

ID:	23214
PubChem CID:	602793
Reduced:	NCl2O4H9C10 (1)
Stoich.:	AB2C4D9E10 (1)
Weight, g/mol:	276.990863
ΔH_f, kcal/mol:	-173.51
Dipole, Da:	9.58
IP(EA), eV:	-9.64(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-[[(2-chloroacetyl)amino]methyl]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1CNC(=O)CCl)O)C(=O)O)Cl

DOS

IR

Vibrations