Geometry & MOs

Info

ID:

116813

PubChem CID:

50576677

Reduced:

ClN5O5C37H44 (1)

Stoich.:

AB5C5D37E44 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-179.21

Dipole, Da:

10.42

IP(EA), eV:

 -8.43(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations