Geometry & MOs

Info

ID:

111328

PubChem CID:

50362272

Reduced:

F2O5N6C40H46 (1)

Stoich.:

A2B5C6D40E46 (1)

Weight, g/mol:

724.374847

ΔHf, kcal/mol:

-265.49

Dipole, Da:

8.87

IP(EA), eV:

 -8.9(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylphenyl]-1-[1-[2-[2-methyl-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC=CC(=C5C)C(=O)N6CCCCC6

DOS

IR

Vibrations