Geometry & MOs

Info

ID:

111727

PubChem CID:

50378935

Reduced:

ClO4N5C34H44 (1)

Stoich.:

AB4C5D34E44 (1)

Weight, g/mol:

635.323833

ΔHf, kcal/mol:

-175.66

Dipole, Da:

7.17

IP(EA), eV:

 -8.6(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]-1-[1-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]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=C(C=C(C=C4)Cl)C(=O)N5CCCC5)C

DOS

IR

Vibrations