Geometry & MOs

Info

ID:	11650
PubChem CID:	118551
Reduced:	Br4O4H16C19 (1)
Stoich.:	A4B4C16D19 (1)
Weight, g/mol:	627.77411
ΔH_f, kcal/mol:	-124.65
Dipole, Da:	1.19
IP(EA), eV:	-9.65(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-(4-acetyloxy-3,5-dibromophenyl)propan-2-yl]-2,6-dibromophenyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1Br)C(C)(C)C2=CC(=C(C(=C2)Br)OC(=O)C)Br)Br

DOS

IR

Vibrations