Geometry & MOs

Info

ID:	87389
PubChem CID:	49894449
Reduced:	NSCl2O3H15C22 (1)
Stoich.:	ABC2D3E15F22 (1)
Weight, g/mol:	454.03902
ΔH_f, kcal/mol:	-52.66
Dipole, Da:	2.81
IP(EA), eV:	-9.1(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC=C(O3)C4=C(C=CC(=C4)Cl)Cl)/SC2=O

DOS

IR

Vibrations