Geometry & MOs

Info

ID:	344709
PubChem CID:	127268297
Reduced:	NSO4C15H21 (1)
Stoich.:	ABC4D15E21 (1)
Weight, g/mol:	388.112664
ΔH_f, kcal/mol:	-119.98
Dipole, Da:	6.28
IP(EA), eV:	-9.12(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)sulfonyl-4-(oxolan-2-ylmethylsulfonyl)piperazine

Drug info:

PubChemData

Smile

CCCN(CC1CC1)S(=O)(=O)C2=CC=CC3=C2OCCO3

DOS

IR

Vibrations