Geometry & MOs

Info

ID:

109683

PubChem CID:

50294027

Reduced:

FO5N6C43H47 (1)

Stoich.:

AB5C6D43E47 (1)

Weight, g/mol:

752.349775

ΔHf, kcal/mol:

-200.78

Dipole, Da:

7.52

IP(EA), eV:

 -8.67(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-1-[1-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=C(C=C5)C(=O)NC6=CC=CC=C6C)C)F

DOS

IR

Vibrations