Geometry & MOs

Info

ID:

110660

PubChem CID:

50334433

Reduced:

O5N6C34H46 (1)

Stoich.:

A5B6C34D46 (1)

Weight, g/mol:

652.337319

ΔHf, kcal/mol:

-209.54

Dipole, Da:

9.13

IP(EA), eV:

 -8.74(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-methyl-6-(phenylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC(=C1NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N4CCCC4)C

DOS

IR

Vibrations