Geometry & MOs

Info

ID:

107290

PubChem CID:

50197736

Reduced:

ClN6O6C39H47 (1)

Stoich.:

AB6C6D39E47 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-223.09

Dipole, Da:

3.84

IP(EA), eV:

 -8.59(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5Cl

DOS

IR

Vibrations