Geometry & MOs

Info

ID:	54636
PubChem CID:	17389020
Reduced:	NO8C28H31 (1)
Stoich.:	AB8C28D31 (1)
Weight, g/mol:	413.104542
ΔH_f, kcal/mol:	-264.06
Dipole, Da:	5.32
IP(EA), eV:	-8.98(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid

Drug info:

PubChemData

Smile

C=CCC1CCC(N1)CC=C.C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations