Geometry & MOs

Info

ID:

111336

PubChem CID:

50362448

Reduced:

O5N6C34H46 (1)

Stoich.:

A5B6C34D46 (1)

Weight, g/mol:

573.331505

ΔHf, kcal/mol:

-213.97

Dipole, Da:

4.82

IP(EA), eV:

 -8.87(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-1-[1-[2-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3)C(=O)NC(C)C)C(=O)N4CCCCC4

DOS

IR

Vibrations