Geometry & MOs

Info

ID:	254319
PubChem CID:	103124260
Reduced:	OSN3H9C12 (1)
Stoich.:	ABC3D9E12 (1)
Weight, g/mol:	271.975547
ΔH_f, kcal/mol:	68.99
Dipole, Da:	2.49
IP(EA), eV:	-9.34(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-2-(2-oxo-1H-imidazol-3-yl)benzoic acid

Drug info:

PubChemData

Smile

C1=CSC(=C1)CC(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations