Geometry & MOs

Info

ID:	171061
PubChem CID:	75320282
Reduced:	NSO3H10C14 (2)
Stoich.:	ABC3D10E14 (2)
Weight, g/mol:	459.150429
ΔH_f, kcal/mol:	-123.71
Dipole, Da:	9.05
IP(EA), eV:	-8.83(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CN2C(=O)C(=CC3=CC=CC=C3OS(=O)(=O)C4=CC5=CC=CC=C5C=C4)SC2=O

DOS

IR

Vibrations