Geometry & MOs

Info

ID:

93317

PubChem CID:

49993158

Reduced:

ClO5N6C42H51 (1)

Stoich.:

AB5C6D42E51 (1)

Weight, g/mol:

589.362805

ΔHf, kcal/mol:

-198.15

Dipole, Da:

9.84

IP(EA), eV:

 -8.78(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-(4-ethylanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCCC6)C)Cl

DOS

IR

Vibrations