Geometry & MOs

Info

ID:	345004
PubChem CID:	127268764
Reduced:	NSO4C18H19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	394.1021
ΔH_f, kcal/mol:	-107.25
Dipole, Da:	5.91
IP(EA), eV:	-9.07(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-4-(2-thiophen-2-ylethyl)piperazine

Drug info:

PubChemData

Smile

CN(C1CC2=CC=CC=C2C1)S(=O)(=O)C3=CC=CC4=C3OCCO4

DOS

IR

Vibrations