Geometry & MOs

Info

ID:	206237
PubChem CID:	80222172
Reduced:	Cl2N3H11C12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	235.046713
ΔH_f, kcal/mol:	47.29
Dipole, Da:	2.79
IP(EA), eV:	-9.6(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=C(C(=NC(=N1)C2=NC=C(C=C2)Cl)Cl)C

DOS

IR

Vibrations