Geometry & MOs

Info

ID:

111381

PubChem CID:

50363949

Reduced:

O5N6C39H46 (1)

Stoich.:

A5B6C39D46 (1)

Weight, g/mol:

696.343547

ΔHf, kcal/mol:

-162.79

Dipole, Da:

8.2

IP(EA), eV:

 -8.33(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5)C(=O)N6CCCCC6

DOS

IR

Vibrations