Geometry & MOs

Info

ID:

111876

PubChem CID:

50384954

Reduced:

O5N6C40H50 (1)

Stoich.:

A5B6C40D50 (1)

Weight, g/mol:

700.394833

ΔHf, kcal/mol:

-192.47

Dipole, Da:

9.72

IP(EA), eV:

 -8.74(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5C)C)C

DOS

IR

Vibrations