Geometry & MOs

Info

ID:

224119

PubChem CID:

85338431

Reduced:

ClN3O6C36H44 (1)

Stoich.:

AB3C6D36E44 (1)

Weight, g/mol:

650.299202

ΔHf, kcal/mol:

-235.39

Dipole, Da:

7.23

IP(EA), eV:

 -8.55(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(1,3-benzodioxol-4-yl)-1-[2-[bis[(2-methylphenyl)methyl]amino]-2-oxoethyl]-2-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC(C(C(C1)C(C)(C)C)OC(=O)C2=C3NC(NC(=O)N3C(=C2C4=CC=C(C=C4)Cl)OC(=O)C5=CC=CC=C5)OC)C(C)(C)C

DOS

IR

Vibrations