Geometry & MOs

Info

ID:

92848

PubChem CID:

49989961

Reduced:

ClO5N6C39H51 (1)

Stoich.:

AB5C6D39E51 (1)

Weight, g/mol:

732.376597

ΔHf, kcal/mol:

-231.79

Dipole, Da:

4.37

IP(EA), eV:

 -8.89(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(3-methylpiperidine-1-carbonyl)phenyl]-1-[1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)Cl)C(=O)N6CCCCC6

DOS

IR

Vibrations