Geometry & MOs

Info

ID:

109688

PubChem CID:

50294203

Reduced:

O5N6C42H52 (1)

Stoich.:

A5B6C42D52 (1)

Weight, g/mol:

642.296597

ΔHf, kcal/mol:

-184.38

Dipole, Da:

3.55

IP(EA), eV:

 -8.57(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-carbamoyl-6-methylphenyl)-1-[1-[2-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=C(C=C5)C(=O)NC6=CC=CC=C6C)C

DOS

IR

Vibrations