Geometry & MOs

Info

ID:

108186

PubChem CID:

50234321

Reduced:

FN6O6C42H47 (1)

Stoich.:

AB6C6D42E47 (1)

Weight, g/mol:

694.384269

ΔHf, kcal/mol:

-232.54

Dipole, Da:

4.66

IP(EA), eV:

 -8.44(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-oxo-1-[4-(piperidine-1-carbonyl)anilino]butan-2-yl]-1-[1-[2-methyl-4-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations