Geometry & MOs

Info

ID:	337251
PubChem CID:	127256816
Reduced:	IBr2O3H9C15 (1)
Stoich.:	AB2C3D9E15 (1)
Weight, g/mol:	397.89762
ΔH_f, kcal/mol:	-41.65
Dipole, Da:	3.59
IP(EA), eV:	-9.65(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,5-dibromo-4-hydroxyphenyl)-2-phenylprop-2-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations