Geometry & MOs

Info

ID:	87207
PubChem CID:	49893072
Reduced:	NSCl2O4H17C20 (1)
Stoich.:	ABC2D4E17F20 (1)
Weight, g/mol:	432.046604
ΔH_f, kcal/mol:	-120.36
Dipole, Da:	7.0
IP(EA), eV:	-8.99(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2,4-dichlorophenyl)methyl]-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=C1OC)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations