Geometry & MOs

Info

ID:

113679

PubChem CID:

50454517

Reduced:

O5N6C41H50 (1)

Stoich.:

A5B6C41D50 (1)

Weight, g/mol:

734.322811

ΔHf, kcal/mol:

-186.56

Dipole, Da:

11.72

IP(EA), eV:

 -8.84(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-[(3-methoxybenzoyl)amino]phenyl]-1-[1-[2-[2-methyl-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC=CC(=C5C)C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations