Geometry & MOs

Info

ID:	23691
PubChem CID:	605401
Reduced:	ClN2S2H3C5 (1)
Stoich.:	AB2C2D3E5 (1)
Weight, g/mol:	189.942618
ΔH_f, kcal/mol:	74.06
Dipole, Da:	3.53
IP(EA), eV:	-9.05(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-methylsulfanyl-1,2-thiazole-4-carbonitrile

Drug info:

PubChemData

Smile

CSC1=NSC(=C1C#N)Cl

DOS

IR

Vibrations