Geometry & MOs

Info

ID:	375455
PubChem CID:	131529787
Reduced:	NOSH3C5 (2)
Stoich.:	ABCD3E5 (2)
Weight, g/mol:	249.98707
ΔH_f, kcal/mol:	7.57
Dipole, Da:	2.35
IP(EA), eV:	-9.72(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-imidazo[5,1-b][1,3]thiazol-5-ylthiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=C(SC=C2C(=O)O)C#N

DOS

IR

Vibrations