Geometry & MOs

Info

ID:

114899

PubChem CID:

50501493

Reduced:

FN5O5C35H42 (1)

Stoich.:

AB5C5D35E42 (1)

Weight, g/mol:

629.337733

ΔHf, kcal/mol:

-227.41

Dipole, Da:

5.29

IP(EA), eV:

 -8.8(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-ethylanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=CC=C4)OC)C)F

DOS

IR

Vibrations