Geometry & MOs

Info

ID:

112078

PubChem CID:

50393770

Reduced:

ClN5O5C32H40 (1)

Stoich.:

AB5C5D32E40 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-195.12

Dipole, Da:

9.33

IP(EA), eV:

 -8.81(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-2-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-1-[2-[3-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations