Geometry & MOs

Info

ID:

112466

PubChem CID:

50408117

Reduced:

F2O4N5C35H41 (1)

Stoich.:

A2B4C5D35E41 (1)

Weight, g/mol:

527.229932

ΔHf, kcal/mol:

-225.54

Dipole, Da:

1.2

IP(EA), eV:

 -8.84(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-chloro-2-methylanilino)-3-oxopropyl]-1-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)F)C)C

DOS

IR

Vibrations