Geometry & MOs

Info

ID:

116727

PubChem CID:

50572881

Reduced:

Cl2O5N6C38H44 (1)

Stoich.:

A2B5C6D38E44 (1)

Weight, g/mol:

638.298346

ΔHf, kcal/mol:

-191.87

Dipole, Da:

9.67

IP(EA), eV:

 -8.48(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-acetamido-3-methylanilino)-2-oxoethyl]-1-[1-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC(=CC=C5)Cl)C)Cl

DOS

IR

Vibrations