Geometry & MOs

Info

ID:

100037

PubChem CID:

50057747

Reduced:

F2O5N6C43H52 (1)

Stoich.:

A2B5C6D43E52 (1)

Weight, g/mol:

782.340353

ΔHf, kcal/mol:

-291.38

Dipole, Da:

6.33

IP(EA), eV:

 -9.04(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-[(5-fluoro-2-methylphenyl)carbamoyl]-6-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC=CC(=C2NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6=C(C=C(C=C6)F)F)C)C

DOS

IR

Vibrations