Geometry & MOs

Info

ID:	10963
PubChem CID:	109432
Reduced:	O2Cl4C12H15 (2)
Stoich.:	A2B4C12D15 (2)
Weight, g/mol:	665.959331
ΔH_f, kcal/mol:	-288.77
Dipole, Da:	1.46
IP(EA), eV:	-10.6(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-(4,5,6,8,8-pentachlorooctyl) 4-O-(2,4,5-trichlorooctyl) benzene-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CCCC(C(CC(COC(=O)C1=CC=C(C=C1)C(=O)OCCCC(C(C(CC(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl

DOS

IR

Vibrations