Geometry & MOs

Info

ID:

110967

PubChem CID:

50346149

Reduced:

O5N6C40H54 (1)

Stoich.:

A5B6C40D54 (1)

Weight, g/mol:

718.360946

ΔHf, kcal/mol:

-220.4

Dipole, Da:

11.48

IP(EA), eV:

 -8.66(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(3-methylpiperidine-1-carbonyl)phenyl]-1-[1-[1-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC=CC(=C5C)C(=O)N6CCCC6)C

DOS

IR

Vibrations