Geometry & MOs

Info

ID:

109138

PubChem CID:

50274091

Reduced:

F3O5N6C43H45 (1)

Stoich.:

A3B5C6D43E45 (1)

Weight, g/mol:

782.340353

ΔHf, kcal/mol:

-290.34

Dipole, Da:

11.34

IP(EA), eV:

 -9.0(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=C(C=C5)C(=O)NC6=CC(=C(C=C6)F)F)C)C

DOS

IR

Vibrations