Geometry & MOs

Info

ID:	292968
PubChem CID:	117367230
Reduced:	FSO5H7C9 (1)
Stoich.:	ABC5D7E9 (1)
Weight, g/mol:	246.064057
ΔH_f, kcal/mol:	-213.08
Dipole, Da:	6.06
IP(EA), eV:	-10.86(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-2-oxoacetic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)C(=O)O)F

DOS

IR

Vibrations