Geometry & MOs

Info

ID:	171111
PubChem CID:	75329780
Reduced:	ClSN3O6H18C25 (1)
Stoich.:	ABC3D6E18F25 (1)
Weight, g/mol:	444.099122
ΔH_f, kcal/mol:	-80.98
Dipole, Da:	3.15
IP(EA), eV:	-9.14(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)C(=CC3=CC(=CC=C3)OCC(=O)NC4=CC=C(C=C4)Cl)SC2=O)[N+](=O)[O-]

DOS

IR

Vibrations