Geometry & MOs

Info

ID:

111023

PubChem CID:

50348808

Reduced:

F2O5N6C40H46 (1)

Stoich.:

A2B5C6D40E46 (1)

Weight, g/mol:

692.368619

ΔHf, kcal/mol:

-258.64

Dipole, Da:

8.28

IP(EA), eV:

 -9.06(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-(phenylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)C(=O)NC6=C(C=C(C=C6)F)F)C

DOS

IR

Vibrations