Geometry & MOs

Info

ID:

96982

PubChem CID:

50026761

Reduced:

F3O5N6C43H45 (1)

Stoich.:

A3B5C6D43E45 (1)

Weight, g/mol:

778.365425

ΔHf, kcal/mol:

-284.37

Dipole, Da:

13.95

IP(EA), eV:

 -8.71(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6=C(C=CC(=C6)F)C)C

DOS

IR

Vibrations