Geometry & MOs

Info

ID:	344756
PubChem CID:	127268344
Reduced:	NSO4C18H19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	368.176979
ΔH_f, kcal/mol:	-112.98
Dipole, Da:	5.93
IP(EA), eV:	-9.13(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxan-2-ylmethylsulfonyl)-4-(2-phenoxyethyl)piperazine

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2CC1NS(=O)(=O)C3=CC=CC4=C3OCCO4

DOS

IR

Vibrations