Geometry & MOs

Info

ID:

108710

PubChem CID:

50255430

Reduced:

O3F4N4H28C29 (1)

Stoich.:

A3B4C4D28E29 (1)

Weight, g/mol:

612.306018

ΔHf, kcal/mol:

-244.18

Dipole, Da:

8.2

IP(EA), eV:

 -8.93(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-acetamido-3-methylanilino)-1-oxopropan-2-yl]-1-[2-[2-methyl-4-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations