Geometry & MOs

Info

ID:	171192
PubChem CID:	75341750
Reduced:	ClSN2O6H23C25 (1)
Stoich.:	ABC2D6E23F25 (1)
Weight, g/mol:	450.088557
ΔH_f, kcal/mol:	-190.3
Dipole, Da:	7.46
IP(EA), eV:	-9.07(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=C3C(=O)N(C(=O)S3)CC(=O)N4CCCCC4)Cl

DOS

IR

Vibrations