Geometry & MOs

Info

ID:	123219
PubChem CID:	50838027
Reduced:	ClFNO3H21C24 (1)
Stoich.:	ABCD3E21F24 (1)
Weight, g/mol:	438.136176
ΔH_f, kcal/mol:	-98.82
Dipole, Da:	4.68
IP(EA), eV:	-9.09(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-acetamidophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1COC2=C(CN1C(=O)C3=CC=CC=C3F)C=C(C=C2)COCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations