Geometry & MOs

Info

ID:

112051

PubChem CID:

50393229

Reduced:

FN3O3C20H23 (2)

Stoich.:

AB3C3D20E23 (2)

Weight, g/mol:

708.363533

ΔHf, kcal/mol:

-302.12

Dipole, Da:

9.72

IP(EA), eV:

 -8.88(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC=CC(=C5C)C(=O)N6CCOCC6

DOS

IR

Vibrations