Geometry & MOs

Info

ID:	87233
PubChem CID:	49893391
Reduced:	NSCl2O4H19C22 (1)
Stoich.:	ABC2D4E19F22 (1)
Weight, g/mol:	500.9204
ΔH_f, kcal/mol:	-100.07
Dipole, Da:	3.76
IP(EA), eV:	-8.63(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-3-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)CC=C)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations