Geometry & MOs

Info

ID:

113594

PubChem CID:

50452097

Reduced:

F2O5N6C42H44 (1)

Stoich.:

A2B5C6D42E44 (1)

Weight, g/mol:

754.309053

ΔHf, kcal/mol:

-236.2

Dipole, Da:

4.49

IP(EA), eV:

 -8.69(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-[(3-fluorophenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC=CC(=C5C)C(=O)NC6=C(C=CC=C6F)F)C

DOS

IR

Vibrations