Geometry & MOs

Info

ID:

117933

PubChem CID:

50621033

Reduced:

ClN5O5C37H44 (1)

Stoich.:

AB5C5D37E44 (1)

Weight, g/mol:

575.229932

ΔHf, kcal/mol:

-173.92

Dipole, Da:

11.38

IP(EA), eV:

 -8.6(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[3-(2-methylanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)OC)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5C

DOS

IR

Vibrations