Geometry & MOs

Info

ID:	59202
PubChem CID:	24775724
Reduced:	OSN4C17H18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	478.1021
ΔH_f, kcal/mol:	90.48
Dipole, Da:	2.77
IP(EA), eV:	-8.71(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN=C(N1CCC[C@@H]1C2=NOC(=C2)C3=CC=CC(=C3)C#N)SC

DOS

IR

Vibrations