Geometry & MOs

Info

ID:

109488

PubChem CID:

50286298

Reduced:

F2O5N6C43H48 (1)

Stoich.:

A2B5C6D43E48 (1)

Weight, g/mol:

593.22051

ΔHf, kcal/mol:

-258.17

Dipole, Da:

7.34

IP(EA), eV:

 -8.66(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-chloroanilino)-1-oxopropan-2-yl]-1-[2-[4-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC(=C(C=C2)F)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=C(C=C5)C)F)C

DOS

IR

Vibrations