Geometry & MOs

Info

ID:	14095
PubChem CID:	403986
Reduced:	ON2S3H18C25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	458.058127
ΔH_f, kcal/mol:	93.7
Dipole, Da:	9.97
IP(EA), eV:	-8.2(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(4-methylphenyl)-3-phenyl-1,3-thiazol-2-ylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CSC(=C3C(=O)N(C(=S)S3)C4=CC=CC=C4)N2C5=CC=CC=C5

DOS

IR

Vibrations