Geometry & MOs

Info

ID:	165646
PubChem CID:	74579868
Reduced:	ClSN2O4H20C26 (1)
Stoich.:	ABC2D4E20F26 (1)
Weight, g/mol:	444.101802
ΔH_f, kcal/mol:	1.66
Dipole, Da:	18.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.222812
Charge, e:	-1

Chem-info

IUPAC name:

4-[[2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetyl]amino]benzoate

Drug info:

PubChemData

Smile

C1CCC(C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)[O-])SC2=NC5=CC=CC=C5

DOS

IR

Vibrations