Geometry & MOs

Info

ID:

117355

PubChem CID:

50599878

Reduced:

ClN5O5C33H36 (1)

Stoich.:

AB5C5D33E36 (1)

Weight, g/mol:

603.261232

ΔHf, kcal/mol:

-162.4

Dipole, Da:

5.51

IP(EA), eV:

 -8.82(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations