Geometry & MOs

Info

ID:	165293
PubChem CID:	74527881
Reduced:	SN2O4H14C19 (1)
Stoich.:	AB2C4D14E19 (1)
Weight, g/mol:	497.978077
ΔH_f, kcal/mol:	-73.69
Dipole, Da:	3.5
IP(EA), eV:	-9.4(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[3-[(4-chlorophenyl)sulfonylamino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]propanoic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)NC2=NC(=O)C(=CC3=CC=CC=C3C(=O)O)S2

DOS

IR

Vibrations