Geometry & MOs

Info

ID:	165303
PubChem CID:	74529239
Reduced:	ClSN2F3O5H16C21 (1)
Stoich.:	ABC2D3E5F16G21 (1)
Weight, g/mol:	412.072907
ΔH_f, kcal/mol:	-280.83
Dipole, Da:	11.12
IP(EA), eV:	-9.34(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-5-[[2-[5-[(2-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)NC3=CC(=C(C=C3)Cl)C(F)(F)F)OCC(=O)O

DOS

IR

Vibrations