Geometry & MOs

Info

ID:

93158

PubChem CID:

49992055

Reduced:

N5O5C34H47 (1)

Stoich.:

A5B5C34D47 (1)

Weight, g/mol:

591.34207

ΔHf, kcal/mol:

-217.05

Dipole, Da:

10.69

IP(EA), eV:

 -8.61(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C(C)C

DOS

IR

Vibrations