Geometry & MOs

Info

ID:	165304
PubChem CID:	74529507
Reduced:	SN2O6H16C20 (1)
Stoich.:	AB2C6D16E20 (1)
Weight, g/mol:	410.093643
ΔH_f, kcal/mol:	-191.03
Dipole, Da:	6.54
IP(EA), eV:	-9.09(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C=C2C(=O)N(C(=O)S2)CC(=O)NC3=CC(=C(C=C3)O)C(=O)O

DOS

IR

Vibrations