Geometry & MOs

Info

ID:

112640

PubChem CID:

50414206

Reduced:

F2O3N4C28H28 (1)

Stoich.:

A2B3C4D28E28 (1)

Weight, g/mol:

646.384269

ΔHf, kcal/mol:

-159.94

Dipole, Da:

6.38

IP(EA), eV:

 -9.03(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC=C3)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations