Geometry & MOs

Info

ID:	344761
PubChem CID:	127268349
Reduced:	NSO6C18H19 (1)
Stoich.:	ABC6D18E19 (1)
Weight, g/mol:	375.125277
ΔH_f, kcal/mol:	-180.07
Dipole, Da:	4.35
IP(EA), eV:	-8.56(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)OCCO2)NS(=O)(=O)C3=CC=CC4=C3OCCO4

DOS

IR

Vibrations