Geometry & MOs

Info

ID:	24955
PubChem CID:	615184
Reduced:	ClFNOSH5C9 (1)
Stoich.:	ABCDEF5G9 (1)
Weight, g/mol:	228.976441
ΔH_f, kcal/mol:	-38.63
Dipole, Da:	5.78
IP(EA), eV:	-9.02(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-fluorophenyl)-1,2-thiazol-3-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N2C(=O)C=CS2)Cl)F

DOS

IR

Vibrations