Geometry & MOs

Info

ID:

93877

PubChem CID:

49997429

Reduced:

ClO4N5C28H36 (1)

Stoich.:

AB4C5D28E36 (1)

Weight, g/mol:

563.347155

ΔHf, kcal/mol:

-169.86

Dipole, Da:

1.39

IP(EA), eV:

 -8.98(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-methyl-4-(2-methylbutanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)NC

DOS

IR

Vibrations