Geometry & MOs

Info

ID:	65439
PubChem CID:	29214977
Reduced:	SO4N7C24H25 (1)
Stoich.:	AB4C7D24E25 (1)
Weight, g/mol:	388.242259
ΔH_f, kcal/mol:	22.73
Dipole, Da:	8.01
IP(EA), eV:	-8.35(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(3R)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NN=C(N2N)N/N=C\C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations