Geometry & MOs

Info

ID:	195901
PubChem CID:	78746360
Reduced:	ClOS2N3H8C17 (1)
Stoich.:	ABC2D3E8F17 (1)
Weight, g/mol:	363.050004
ΔH_f, kcal/mol:	110.49
Dipole, Da:	7.36
IP(EA), eV:	-9.4(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-methylphenyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)N2C(=O)C(=CC3=CSC=C3)SC2=C(C#N)C#N

DOS

IR

Vibrations