Geometry & MOs

Info

ID:	344686
PubChem CID:	127268274
Reduced:	NSO5C12H15 (1)
Stoich.:	ABC5D12E15 (1)
Weight, g/mol:	248.119464
ΔH_f, kcal/mol:	-166.82
Dipole, Da:	5.65
IP(EA), eV:	-9.18(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-methylpropylsulfonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC=CC3=C2OCCO3

DOS

IR

Vibrations