Geometry & MOs

Info

ID:	167342
PubChem CID:	74811999
Reduced:	SO2N5C24H28 (1)
Stoich.:	AB2C5D24E28 (1)
Weight, g/mol:	420.232088
ΔH_f, kcal/mol:	33.3
Dipole, Da:	8.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762076
Charge, e:	1

Chem-info

IUPAC name:

N-(oxolan-2-ylmethyl)-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]piperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

CCSC1=NC=C(C=N1)C[NH+]2CCCCC2C(=O)NC3=CC=C(C=C3)OC4=CN=CC=C4

DOS

IR

Vibrations