Geometry & MOs

Info

ID:

110837

PubChem CID:

50341368

Reduced:

F2O5N6C38H44 (1)

Stoich.:

A2B5C6D38E44 (1)

Weight, g/mol:

666.352969

ΔHf, kcal/mol:

-262.21

Dipole, Da:

5.29

IP(EA), eV:

 -8.96(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N4CCCC4)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations