Geometry & MOs

Info

ID:

118293

PubChem CID:

50637264

Reduced:

ClFO4N5C33H37 (1)

Stoich.:

ABC4D5E33F37 (1)

Weight, g/mol:

686.275024

ΔHf, kcal/mol:

-184.92

Dipole, Da:

8.71

IP(EA), eV:

 -8.97(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-chloro-2-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-1-[1-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=CC=C2F)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC(C)C)Cl

DOS

IR

Vibrations