Geometry & MOs

Info

ID:	88165
PubChem CID:	49902024
Reduced:	SCl2N2O5H20C26 (1)
Stoich.:	AB2C2D5E20F26 (1)
Weight, g/mol:	440.02337
ΔH_f, kcal/mol:	-122.82
Dipole, Da:	4.96
IP(EA), eV:	-8.91(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=CC=C3)Cl)Cl)OCC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations