Geometry & MOs

Info

ID:

111358

PubChem CID:

50363326

Reduced:

N3O3C20H24 (2)

Stoich.:

A3B3C20D24 (2)

Weight, g/mol:

712.338461

ΔHf, kcal/mol:

-210.68

Dipole, Da:

8.22

IP(EA), eV:

 -8.5(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)OC)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC=CC(=C5C)C(=O)N6CCCC6

DOS

IR

Vibrations