Geometry & MOs

Info

ID:

116979

PubChem CID:

50583377

Reduced:

Cl2O5N6C39H52 (1)

Stoich.:

A2B5C6D39E52 (1)

Weight, g/mol:

609.308183

ΔHf, kcal/mol:

-251.26

Dipole, Da:

5.35

IP(EA), eV:

 -9.03(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-1-oxopropan-2-yl]-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5CCCCC5

DOS

IR

Vibrations