Geometry & MOs

Info

ID:

99733

PubChem CID:

50054721

Reduced:

FN6O6C38H39 (1)

Stoich.:

AB6C6D38E39 (1)

Weight, g/mol:

616.280946

ΔHf, kcal/mol:

-204.83

Dipole, Da:

9.38

IP(EA), eV:

 -8.68(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-fluoro-3-(propanoylamino)anilino]-2-oxoethyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=CC=C5OC

DOS

IR

Vibrations