Geometry & MOs

Info

ID:

98268

PubChem CID:

50042016

Reduced:

FN6O6C41H43 (1)

Stoich.:

AB6C6D41E43 (1)

Weight, g/mol:

593.22051

ΔHf, kcal/mol:

-208.24

Dipole, Da:

4.48

IP(EA), eV:

 -8.88(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(methylcarbamoyl)phenyl]-1-[2-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)OC)NC(=O)C6=CC=C(C=C6)F

DOS

IR

Vibrations