Geometry & MOs

Info

ID:

109141

PubChem CID:

50274133

Reduced:

FO5N6C38H39 (1)

Stoich.:

AB5C6D38E39 (1)

Weight, g/mol:

611.347155

ΔHf, kcal/mol:

-180.65

Dipole, Da:

6.24

IP(EA), eV:

 -8.73(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5)C)F

DOS

IR

Vibrations