Geometry & MOs

Info

ID:	23392
PubChem CID:	603317
Reduced:	Br2O6H18C21 (1)
Stoich.:	A2B6C18D21 (1)
Weight, g/mol:	525.94496
ΔH_f, kcal/mol:	-189.88
Dipole, Da:	0.94
IP(EA), eV:	-10.07(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[2-(4-bromophenyl)-2-oxoethyl] pentanedioate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)COC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)Br)Br

DOS

IR

Vibrations