Geometry & MOs

Info

ID:

118556

PubChem CID:

50646985

Reduced:

Cl2O5N6C38H44 (1)

Stoich.:

A2B5C6D38E44 (1)

Weight, g/mol:

638.298346

ΔHf, kcal/mol:

-193.48

Dipole, Da:

3.91

IP(EA), eV:

 -8.24(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-acetamido-3-methylphenyl)-1-[1-[1-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC(C)C)Cl)NC(=O)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations