Geometry & MOs

Info

ID:	351519
PubChem CID:	127280407
Reduced:	SN3O4C18H31 (1)
Stoich.:	AB3C4D18E31 (1)
Weight, g/mol:	371.187878
ΔH_f, kcal/mol:	-184.91
Dipole, Da:	11.17
IP(EA), eV:	-8.92(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-cyclopentylsulfonylacetyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CCC(C1)S(=O)(=O)CCC(=O)N2CCN(CC2)C(=O)CN3CCCC3

DOS

IR

Vibrations