Geometry & MOs

Info

ID:

112976

PubChem CID:

50427816

Reduced:

N3O3C21H26 (2)

Stoich.:

A3B3C21D26 (2)

Weight, g/mol:

646.291511

ΔHf, kcal/mol:

-220.83

Dipole, Da:

6.06

IP(EA), eV:

 -8.7(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-acetamido-3-methoxyanilino)-2-oxoethyl]-1-[2-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5CCCCC5)C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations