Geometry & MOs

Info

ID:	375454
PubChem CID:	131529783
Reduced:	SN2F3C10H13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	249.98707
ΔH_f, kcal/mol:	-145.85
Dipole, Da:	4.77
IP(EA), eV:	-8.94(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyano-4-(4-methyl-1,3-thiazol-5-yl)thiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=C(N=C(S2)C(F)(F)F)N

DOS

IR

Vibrations