Geometry & MOs

Info

ID:

117071

PubChem CID:

50587841

Reduced:

ClN5O5C29H36 (1)

Stoich.:

AB5C5D29E36 (1)

Weight, g/mol:

726.306324

ΔHf, kcal/mol:

-198.68

Dipole, Da:

4.81

IP(EA), eV:

 -8.79(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[4-chloro-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCOCC4

DOS

IR

Vibrations