Geometry & MOs

Info

ID:	293855
PubChem CID:	117406144
Reduced:	ClFO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	261.009579
ΔH_f, kcal/mol:	-176.28
Dipole, Da:	5.51
IP(EA), eV:	-9.27(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-(4-oxo-1-benzothiophen-5-ylidene)-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(CC1=C(C(=C(C=C1)OC)Cl)F)C(=O)O

DOS

IR

Vibrations