Geometry & MOs

Info

ID:	124344
PubChem CID:	50879880
Reduced:	Cl2N3O3H13C18 (1)
Stoich.:	A2B3C3D13E18 (1)
Weight, g/mol:	338.072513
ΔH_f, kcal/mol:	-63.56
Dipole, Da:	1.37
IP(EA), eV:	-9.32(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,3-benzothiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1C(CN(C1=O)C2=CC=CC(=C2)C3=NC4=C(O3)C(=CC(=C4)Cl)Cl)C(=O)N

DOS

IR

Vibrations