Geometry & MOs

Info

ID:	171195
PubChem CID:	75342983
Reduced:	SN2O6H22C26 (1)
Stoich.:	AB2C6D22E26 (1)
Weight, g/mol:	439.064507
ΔH_f, kcal/mol:	-81.68
Dipole, Da:	6.12
IP(EA), eV:	-8.85(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-[2-(3-methylphenoxy)ethyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCN2C(=O)C(=CC3=CC(=CC=C3)OCC4=CC=C(C=C4)[N+](=O)[O-])SC2=O

DOS

IR

Vibrations