Geometry & MOs

Info

ID:	165218
PubChem CID:	74519725
Reduced:	ON3S3H17C21 (1)
Stoich.:	AB3C3D17E21 (1)
Weight, g/mol:	408.98771
ΔH_f, kcal/mol:	111.74
Dipole, Da:	4.51
IP(EA), eV:	-8.76(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C=CCN1C(=O)C(=CC2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4)SC1=S

DOS

IR

Vibrations