Geometry & MOs

Info

ID:	59244
PubChem CID:	24775819
Reduced:	NO2C15H25 (1)
Stoich.:	AB2C15D25 (1)
Weight, g/mol:	450.070799
ΔH_f, kcal/mol:	-95.7
Dipole, Da:	1.79
IP(EA), eV:	-9.75(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(5E)-5-[[5-(2,4-dimethylphenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]amino]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CCOCCCCCCCCO

DOS

IR

Vibrations