Geometry & MOs

Info

ID:	26544
PubChem CID:	652322
Reduced:	O3N5C20H21 (1)
Stoich.:	A3B5C20D21 (1)
Weight, g/mol:	294.031043
ΔH_f, kcal/mol:	-36.16
Dipole, Da:	5.72
IP(EA), eV:	-8.82(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NC3=C(N=CC=C3)N4CCOCC4

DOS

IR

Vibrations