Geometry & MOs

Info

ID:	171257
PubChem CID:	75350749
Reduced:	NSI2O4H19C21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	447.090722
ΔH_f, kcal/mol:	-70.0
Dipole, Da:	4.25
IP(EA), eV:	-8.59(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-[2-(4-methylphenoxy)ethyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1I)C=C2C(=O)N(C(=O)S2)CCOC3=CC=C(C=C3)C)I

DOS

IR

Vibrations