Geometry & MOs

Info

ID:	166700
PubChem CID:	74723239
Reduced:	N3O6H20C22 (1)
Stoich.:	A3B6C20D22 (1)
Weight, g/mol:	419.002394
ΔH_f, kcal/mol:	-114.48
Dipole, Da:	11.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.780116
Charge, e:	-1

Chem-info

IUPAC name:

3-[[5-[(2,4-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=NN(C3(C2)C4=CC=CC=C4NC3=O)C(=O)CCC(=O)[O-])OC

DOS

IR

Vibrations