Geometry & MOs

Info

ID:

111209

PubChem CID:

50357474

Reduced:

FO5N6C33H43 (1)

Stoich.:

AB5C6D33E43 (1)

Weight, g/mol:

547.315855

ΔHf, kcal/mol:

-253.07

Dipole, Da:

10.58

IP(EA), eV:

 -8.66(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-methylanilino)-3-oxopropyl]-1-[2-[2-methyl-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N4CCCC4)F

DOS

IR

Vibrations