Geometry & MOs

Info

ID:	254543
PubChem CID:	103126021
Reduced:	ClN3H14C15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	202.077599
ΔH_f, kcal/mol:	74.67
Dipole, Da:	3.1
IP(EA), eV:	-8.67(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylsulfinylbutan-2-yl)-1H-imidazol-2-one

Drug info:

PubChemData

Smile

C1=CC2=C(C=NN2C=C1)C(CC3=CC(=CC=C3)Cl)N

DOS

IR

Vibrations