Geometry & MOs

Info

ID:	87858
PubChem CID:	49898042
Reduced:	NSCl3O3H16C24 (1)
Stoich.:	ABC3D3E16F24 (1)
Weight, g/mol:	514.015698
ΔH_f, kcal/mol:	-56.87
Dipole, Da:	3.62
IP(EA), eV:	-9.12(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2,6-dichlorophenyl)methyl]-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)COC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations