Geometry & MOs

Info

ID:

230298

PubChem CID:

87570613

Reduced:

O3C10H12 (4)

Stoich.:

A3B10C12 (4)

Weight, g/mol:

501.196524

ΔHf, kcal/mol:

-232.18

Dipole, Da:

2.2

IP(EA), eV:

 -7.85(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-chloro-N-[3-[4-[(3-cyano-2-oxo-1-thiophen-3-ylpropyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)C3(C4=C(C=CC(=C4OCC5CO5)OCC6CO6)OCC7CO7)C8=C(C=CC(=C8OCC9CO9)OCC1CO1)OCC1CO1

DOS

IR

Vibrations