Geometry & MOs

Info

ID:

99953

PubChem CID:

50056549

Reduced:

F4O5N6H40C41 (1)

Stoich.:

A4B5C6D40E41 (1)

Weight, g/mol:

732.320224

ΔHf, kcal/mol:

-317.71

Dipole, Da:

8.25

IP(EA), eV:

 -8.89(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(piperidine-1-carbonyl)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(=CC=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)NC6=C(C=CC=C6F)F)C

DOS

IR

Vibrations