Geometry & MOs

Info

ID:

115409

PubChem CID:

50521889

Reduced:

Cl2O5N6C33H44 (1)

Stoich.:

A2B5C6D33E44 (1)

Weight, g/mol:

694.243724

ΔHf, kcal/mol:

-226.94

Dipole, Da:

2.36

IP(EA), eV:

 -9.01(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC(C)C

DOS

IR

Vibrations