Geometry & MOs

Info

ID:	374474
PubChem CID:	131329934
Reduced:	NOF2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	258.96254
ΔH_f, kcal/mol:	-76.12
Dipole, Da:	4.08
IP(EA), eV:	-9.72(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C(CC#N)C2=C(C=CC(=C2O)F)F

DOS

IR

Vibrations