Geometry & MOs

Info

ID:	254418
PubChem CID:	103125142
Reduced:	N2O2F3H7C10 (1)
Stoich.:	A2B2C3D7E10 (1)
Weight, g/mol:	238.041213
ΔH_f, kcal/mol:	-192.67
Dipole, Da:	4.44
IP(EA), eV:	-8.87(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylsulfonylphenyl)-1H-imidazol-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N2C=CNC2=O)OC(F)(F)F

DOS

IR

Vibrations