Geometry & MOs

Info

ID:

112052

PubChem CID:

50393230

Reduced:

N3O3C20H24 (2)

Stoich.:

A3B3C20D24 (2)

Weight, g/mol:

726.354111

ΔHf, kcal/mol:

-205.61

Dipole, Da:

10.56

IP(EA), eV:

 -8.6(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations