Geometry & MOs

Info

ID:	87204
PubChem CID:	49893057
Reduced:	BrNSCl2O4H22C30 (1)
Stoich.:	ABCD2E4F22G30 (1)
Weight, g/mol:	562.92218
ΔH_f, kcal/mol:	-68.59
Dipole, Da:	4.11
IP(EA), eV:	-8.83(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2,4-dichlorophenyl)methyl]-5-[(3-ethoxy-5-iodo-4-methoxyphenyl)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=CC=CC5=CC=CC=C54

DOS

IR

Vibrations