Geometry & MOs

Info

ID:

108297

PubChem CID:

50240341

Reduced:

F4O5N6C42H42 (1)

Stoich.:

A4B5C6D42E42 (1)

Weight, g/mol:

595.315855

ΔHf, kcal/mol:

-331.59

Dipole, Da:

10.9

IP(EA), eV:

 -8.82(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-4-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[3-(3-methylpiperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=C(C=C5)C(=O)NC6=C(C=CC=C6F)F)C

DOS

IR

Vibrations