Geometry & MOs

Info

ID:

111571

PubChem CID:

50373163

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

595.292532

ΔHf, kcal/mol:

-228.52

Dipole, Da:

2.13

IP(EA), eV:

 -8.83(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)C(=O)NC5=CC(=C(C=C5)C)F)C

DOS

IR

Vibrations