Geometry & MOs

Info

ID:

117141

PubChem CID:

50592780

Reduced:

Cl2O4N5C27H31 (1)

Stoich.:

A2B4C5D27E31 (1)

Weight, g/mol:

587.20661

ΔHf, kcal/mol:

-151.01

Dipole, Da:

6.82

IP(EA), eV:

 -9.06(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)C(=O)N4CCCC4)Cl)Cl

DOS

IR

Vibrations