Geometry & MOs

Info

ID:	375452
PubChem CID:	131529776
Reduced:	NOSH3C5 (2)
Stoich.:	ABCD3E5 (2)
Weight, g/mol:	249.98707
ΔH_f, kcal/mol:	7.51
Dipole, Da:	8.47
IP(EA), eV:	-9.75(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-4-(2-methyl-1,3-thiazol-4-yl)thiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=C(S1)C2=CSC(=C2C(=O)O)C#N

DOS

IR

Vibrations