Geometry & MOs

Info

ID:	344726
PubChem CID:	127268314
Reduced:	NSO6C18H19 (1)
Stoich.:	ABC6D18E19 (1)
Weight, g/mol:	346.156243
ΔH_f, kcal/mol:	-176.77
Dipole, Da:	4.64
IP(EA), eV:	-8.69(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(oxan-2-ylmethylsulfonyl)piperazin-1-yl]-(oxolan-2-yl)methanone

Drug info:

PubChemData

Smile

CN(CC1COC2=CC=CC=C2O1)S(=O)(=O)C3=CC=CC4=C3OCCO4

DOS

IR

Vibrations