Geometry & MOs

Info

ID:

100016

PubChem CID:

50057405

Reduced:

F2N6O6C43H46 (1)

Stoich.:

A2B6C6D43E46 (1)

Weight, g/mol:

506.212947

ΔHf, kcal/mol:

-265.38

Dipole, Da:

13.23

IP(EA), eV:

 -8.84(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3,4-difluorophenyl)-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)C)NC(=O)C6=CC=C(C=C6)OC

DOS

IR

Vibrations