Geometry & MOs

Info

ID:

111592

PubChem CID:

50373796

Reduced:

O5N6C38H52 (1)

Stoich.:

A5B6C38D52 (1)

Weight, g/mol:

604.337319

ΔHf, kcal/mol:

-218.2

Dipole, Da:

9.47

IP(EA), eV:

 -8.9(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetamidoanilino)-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)NC(C)C(=O)NC4=CC=CC=C4C(=O)N5CCC(CC5)C)C

DOS

IR

Vibrations