Geometry & MOs

Info

ID:

119188

PubChem CID:

50673053

Reduced:

Cl2O5N6C38H48 (1)

Stoich.:

A2B5C6D38E48 (1)

Weight, g/mol:

639.298761

ΔHf, kcal/mol:

-224.64

Dipole, Da:

9.41

IP(EA), eV:

 -9.11(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-(5-fluoro-2-methylphenyl)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)N6CCCCC6)Cl)Cl

DOS

IR

Vibrations