Geometry & MOs

Info

ID:	352838
PubChem CID:	127283928
Reduced:	SN3O3C12H25 (1)
Stoich.:	AB3C3D12E25 (1)
Weight, g/mol:	387.092263
ΔH_f, kcal/mol:	-131.04
Dipole, Da:	4.26
IP(EA), eV:	-8.73(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazin-2-one

Drug info:

PubChemData

Smile

CN1CCC(CC1)CN(C)S(=O)(=O)N2CCOCC2

DOS

IR

Vibrations