Geometry & MOs

Info

ID:	337252
PubChem CID:	127256817
Reduced:	Br2O3H10C15 (1)
Stoich.:	A2B3C10D15 (1)
Weight, g/mol:	433.89735
ΔH_f, kcal/mol:	-58.59
Dipole, Da:	4.52
IP(EA), eV:	-9.57(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,5-dichloro-4-hydroxyphenyl)-2-(4-iodophenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C\C2=CC(=C(C(=C2)Br)O)Br)/C(=O)O

DOS

IR

Vibrations