Geometry & MOs

Info

ID:

99906

PubChem CID:

50056110

Reduced:

F2N6O6C39H44 (1)

Stoich.:

A2B6C6D39E44 (1)

Weight, g/mol:

720.320224

ΔHf, kcal/mol:

-286.01

Dipole, Da:

14.42

IP(EA), eV:

 -8.79(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(2-methylbutanoylamino)anilino]-1-oxopropan-2-yl]-1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)N6CCCC6)OC

DOS

IR

Vibrations