Geometry & MOs

Info

ID:	31778
PubChem CID:	3718061
Reduced:	BrN2O2H15C20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	404.033062
ΔH_f, kcal/mol:	42.23
Dipole, Da:	1.21
IP(EA), eV:	-8.9(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dichlorophenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C2C3=C(C=CC(=C3)Br)OC(N2N=C1C4=CC=CO4)C5=CC=CC=C5

DOS

IR

Vibrations