Geometry & MOs

Info

ID:	225583
PubChem CID:	85856259
Reduced:	SO2N3C11H11 (1)
Stoich.:	AB2C3D11E11 (1)
Weight, g/mol:	239.017163
ΔH_f, kcal/mol:	50.54
Dipole, Da:	3.83
IP(EA), eV:	-9.08(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-4,4-dimethyl-1,3-thiazol-5-one

Drug info:

PubChemData

Smile

CC1(C(=S)NC(=N1)C2=CC(=CC=C2)[N+](=O)[O-])C

DOS

IR

Vibrations