Geometry & MOs

Info

ID:

116805

PubChem CID:

50576276

Reduced:

ClF2O5N6C39H43 (1)

Stoich.:

AB2C5D6E39F43 (1)

Weight, g/mol:

760.315139

ΔHf, kcal/mol:

-271.03

Dipole, Da:

7.22

IP(EA), eV:

 -8.67(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-fluoro-5-[(3-methoxybenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC2CCCC2)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)NC(=O)C6=CC(=CC=C6)F)F

DOS

IR

Vibrations