Geometry & MOs

Info

ID:	171237
PubChem CID:	75347775
Reduced:	NSO5H25C30 (1)
Stoich.:	ABC5D25E30 (1)
Weight, g/mol:	442.119858
ΔH_f, kcal/mol:	-89.23
Dipole, Da:	2.04
IP(EA), eV:	-8.5(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-hydroxy-3-nitrophenyl)methylidene]-3-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCCOC2=CC=CC(=C2)C=C3C(=O)N(C(=O)S3)CCOC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations