Geometry & MOs

Info

ID:	230769
PubChem CID:	87571965
Reduced:	SN3O4C28H39 (1)
Stoich.:	AB3C4D28E39 (1)
Weight, g/mol:	385.203528
ΔH_f, kcal/mol:	-86.87
Dipole, Da:	8.02
IP(EA), eV:	-8.02(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-2-[piperidin-2-yl(sulfonyl)methoxy]ethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2CCCN2C(=O)COC(=S(=O)=O)C3CCCCN3.C1=CC=C2C=CC=CC2=C1

DOS

IR

Vibrations