Geometry & MOs

Info

ID:

92578

PubChem CID:

49988188

Reduced:

N5O5C37H45 (1)

Stoich.:

A5B5C37D45 (1)

Weight, g/mol:

593.337733

ΔHf, kcal/mol:

-179.53

Dipole, Da:

5.11

IP(EA), eV:

 -8.06(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[4-fluoro-3-(2-methylbutanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5OC)C

DOS

IR

Vibrations