Geometry & MOs

Info

ID:	87140
PubChem CID:	49892619
Reduced:	BrNSCl4O4H18C26 (1)
Stoich.:	ABCD4E4F18G26 (1)
Weight, g/mol:	423.009884
ΔH_f, kcal/mol:	-105.88
Dipole, Da:	3.75
IP(EA), eV:	-9.28(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)Br)OCC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations