Geometry & MOs

Info

ID:	375451
PubChem CID:	131529772
Reduced:	NSO6C14H19 (1)
Stoich.:	ABC6D14E19 (1)
Weight, g/mol:	249.98707
ΔH_f, kcal/mol:	-268.65
Dipole, Da:	6.55
IP(EA), eV:	-9.92(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-4-(2-methyl-1,3-thiazol-5-yl)thiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@](CC(=O)O)(C1=CC=C(S1)C(=O)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations