Geometry & MOs

Info

ID:

90224

PubChem CID:

49967775

Reduced:

O5N6C38H52 (1)

Stoich.:

A5B6C38D52 (1)

Weight, g/mol:

646.384269

ΔHf, kcal/mol:

-217.15

Dipole, Da:

2.35

IP(EA), eV:

 -9.26(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(butan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCC(CC5)C)C

DOS

IR

Vibrations