Geometry & MOs

Info

ID:

120069

PubChem CID:

50712670

Reduced:

Cl2O5N6C39H50 (1)

Stoich.:

A2B5C6D39E50 (1)

Weight, g/mol:

766.337624

ΔHf, kcal/mol:

-236.54

Dipole, Da:

10.55

IP(EA), eV:

 -8.79(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-chloro-2-(4-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC2CCCCC2)Cl)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)Cl)C(=O)N6CCCCC6

DOS

IR

Vibrations