Geometry & MOs

Info

ID:

119287

PubChem CID:

50676627

Reduced:

Cl2O5N6C38H48 (1)

Stoich.:

A2B5C6D38E48 (1)

Weight, g/mol:

726.269939

ΔHf, kcal/mol:

-225.71

Dipole, Da:

5.34

IP(EA), eV:

 -9.14(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCC6)Cl)Cl

DOS

IR

Vibrations