Geometry & MOs

Info

ID:	288759
PubChem CID:	104325194
Reduced:	NO3H9C16 (1)
Stoich.:	AB3C9D16 (1)
Weight, g/mol:	319.965855
ΔH_f, kcal/mol:	15.94
Dipole, Da:	5.64
IP(EA), eV:	-9.43(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[(2-cyano-1-benzofuran-3-yl)oxy]-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(O2)C#N)OC3=CC=C(C=C3)C=O

DOS

IR

Vibrations