Geometry & MOs

Info

ID:

176982

PubChem CID:

76121906

Reduced:

Cl2N3O3H19C21 (1)

Stoich.:

A2B3C3D19E21 (1)

Weight, g/mol:

615.274464

ΔHf, kcal/mol:

-84.61

Dipole, Da:

3.2

IP(EA), eV:

 -9.35(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(2,6-diethyl-4-methylanilino)-2-oxoethyl]-4-(7-fluoro-1,3-benzodioxol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)N(C1CC(NC2=C1C(=CC(=C2)Cl)Cl)C(=O)O)C3=CC=C(C=C3)CCC#N

DOS

IR

Vibrations