Geometry & MOs

Info

ID:	22352
PubChem CID:	596903
Reduced:	SN2O2C8H8 (1)
Stoich.:	AB2C2D8E8 (1)
Weight, g/mol:	196.030649
ΔH_f, kcal/mol:	-42.86
Dipole, Da:	1.89
IP(EA), eV:	-9.2(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-4-cyano-3-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C#N)N)C(=O)OC

DOS

IR

Vibrations