Geometry & MOs

Info

ID:

99330

PubChem CID:

50049890

Reduced:

F3O5N6C43H45 (1)

Stoich.:

A3B5C6D43E45 (1)

Weight, g/mol:

786.315281

ΔHf, kcal/mol:

-289.78

Dipole, Da:

10.71

IP(EA), eV:

 -9.05(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-fluoro-3-[[2-(4-fluorophenyl)acetyl]amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC=CC(=C2NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6=C(C=CC(=C6)F)F)C)C)F

DOS

IR

Vibrations