Geometry & MOs

Info

ID:

92425

PubChem CID:

49986087

Reduced:

N6O6C41H56 (1)

Stoich.:

A6B6C41D56 (1)

Weight, g/mol:

646.384269

ΔHf, kcal/mol:

-260.03

Dipole, Da:

13.69

IP(EA), eV:

 -8.82(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-oxo-1-[4-(propanoylamino)anilino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)OC)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCC6)C

DOS

IR

Vibrations