Geometry & MOs

Info

ID:	312877
PubChem CID:	126609372
Reduced:	ClSN2O3C22H23 (1)
Stoich.:	ABC2D3E22F23 (1)
Weight, g/mol:	426.088557
ΔH_f, kcal/mol:	-68.84
Dipole, Da:	2.48
IP(EA), eV:	-8.81(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2Cl)CSCC(=O)NC(C)C3=CC=CC=C3OC

DOS

IR

Vibrations