Geometry & MOs

Info

ID:	23467
PubChem CID:	603868
Reduced:	BrIO3H10C15 (1)
Stoich.:	ABC3D10E15 (1)
Weight, g/mol:	443.8858
ΔH_f, kcal/mol:	-42.34
Dipole, Da:	2.5
IP(EA), eV:	-9.77(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromophenyl)-2-oxoethyl] 4-iodobenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)COC(=O)C2=CC=C(C=C2)I)Br

DOS

IR

Vibrations