Geometry & MOs

Info

ID:	5664
PubChem CID:	13455
Reduced:	Cl4H4O4C9 (1)
Stoich.:	A4B4C4D9 (1)
Weight, g/mol:	317.883419
ΔH_f, kcal/mol:	-162.1
Dipole, Da:	4.88
IP(EA), eV:	-10.04(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,5,6-tetrachloro-4-methoxycarbonylbenzoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl

DOS

IR

Vibrations