Geometry & MOs

Info

ID:	87874
PubChem CID:	49898226
Reduced:	NSCl4O4H13C24 (1)
Stoich.:	ABC4D4E13F24 (1)
Weight, g/mol:	473.984398
ΔH_f, kcal/mol:	-100.63
Dipole, Da:	1.05
IP(EA), eV:	-9.56(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)OC2=C(C=C(C=C2)Cl)/C=C\3/C(=O)N(C(=O)S3)CC4=CC(=C(C=C4)Cl)Cl)Cl

DOS

IR

Vibrations