Geometry & MOs

Info

ID:

116712

PubChem CID:

50572135

Reduced:

ClFN6O6C39H44 (1)

Stoich.:

ABC6D6E39F44 (1)

Weight, g/mol:

746.299489

ΔHf, kcal/mol:

-258.42

Dipole, Da:

8.33

IP(EA), eV:

 -8.89(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC(=C(C=C5)Cl)C(=O)N6CCOCC6)C

DOS

IR

Vibrations