Geometry & MOs

Info

ID:

119408

PubChem CID:

50683839

Reduced:

ClN3O3C19H21 (2)

Stoich.:

AB3C3D19E21 (2)

Weight, g/mol:

672.222988

ΔHf, kcal/mol:

-217.4

Dipole, Da:

6.81

IP(EA), eV:

 -8.67(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-acetamido-2-chlorophenyl)-1-[1-[2-[2-chloro-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)N6CCOCC6)Cl

DOS

IR

Vibrations