Geometry & MOs

Info

ID:	200298
PubChem CID:	79376419
Reduced:	Cl2S2H5N5C11 (1)
Stoich.:	A2B2C5D5E11 (1)
Weight, g/mol:	235.02379
ΔH_f, kcal/mol:	127.78
Dipole, Da:	4.06
IP(EA), eV:	-8.71(-2.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-(thiophen-3-ylmethylamino)-1,2-thiazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=NSC(=C1C#N)NC2=C(C=C(C3=C2N=S=N3)Cl)Cl

DOS

IR

Vibrations