Geometry & MOs

Info

ID:

119214

PubChem CID:

50674066

Reduced:

Cl2O5N6C38H48 (1)

Stoich.:

A2B5C6D38E48 (1)

Weight, g/mol:

665.334397

ΔHf, kcal/mol:

-230.6

Dipole, Da:

3.08

IP(EA), eV:

 -8.93(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)N6CCCCC6)Cl

DOS

IR

Vibrations