Geometry & MOs

Info

ID:	88043
PubChem CID:	49900120
Reduced:	NSCl2O6H17C21 (1)
Stoich.:	ABC2D6E17F21 (1)
Weight, g/mol:	449.025535
ΔH_f, kcal/mol:	-191.35
Dipole, Da:	2.76
IP(EA), eV:	-9.28(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(3,4-dichlorophenyl)methyl]-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1OC)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=C(C=C3)Cl)Cl)OC

DOS

IR

Vibrations