Geometry & MOs

Info

ID:

230245

PubChem CID:

87570512

Reduced:

O3C10H12 (4)

Stoich.:

A3B10C12 (4)

Weight, g/mol:

526.157218

ΔHf, kcal/mol:

-246.27

Dipole, Da:

1.19

IP(EA), eV:

 -8.8(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,6-dichloro-N-[(3R)-3-[4-[(3-methoxy-2-oxo-1-thiophen-3-ylpropyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1C2CC3(CC1CC(C2)(C3)C4=C(C=CC(=C4OCC5CO5)OCC6CO6)OCC7CO7)C8=C(C=CC(=C8OCC9CO9)OCC1CO1)OCC1CO1

DOS

IR

Vibrations