Geometry & MOs

Info

ID:

109493

PubChem CID:

50286426

Reduced:

FN6O6C43H47 (1)

Stoich.:

AB6C6D43E47 (1)

Weight, g/mol:

780.34469

ΔHf, kcal/mol:

-227.57

Dipole, Da:

5.96

IP(EA), eV:

 -8.66(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC=CC=C6)OC)C)F

DOS

IR

Vibrations