Geometry & MOs

Info

ID:

117064

PubChem CID:

50587718

Reduced:

ClN6O6C34H43 (1)

Stoich.:

AB6C6D34E43 (1)

Weight, g/mol:

680.308911

ΔHf, kcal/mol:

-241.65

Dipole, Da:

8.2

IP(EA), eV:

 -8.99(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1C(=O)N2CCCCC2)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations