Geometry & MOs

Info

ID:

91796

PubChem CID:

49979213

Reduced:

N6O7C41H50 (1)

Stoich.:

A6B7C41D50 (1)

Weight, g/mol:

662.342798

ΔHf, kcal/mol:

-243.05

Dipole, Da:

5.69

IP(EA), eV:

 -8.69(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-acetamido-3-methoxyphenyl)-1-[1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)N6CCOCC6)C)OC

DOS

IR

Vibrations