Geometry & MOs

Info

ID:

120197

PubChem CID:

50717701

Reduced:

ClF2O5N6C41H41 (1)

Stoich.:

AB2C5D6E41F41 (1)

Weight, g/mol:

752.288924

ΔHf, kcal/mol:

-235.4

Dipole, Da:

6.09

IP(EA), eV:

 -8.88(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-[(2-fluorophenyl)carbamoyl]-6-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC=CC=C6)Cl

DOS

IR

Vibrations