Geometry & MOs

Info

ID:	344859
PubChem CID:	127268619
Reduced:	NS3O4C13H19 (1)
Stoich.:	AB3C4D13E19 (1)
Weight, g/mol:	351.0599
ΔH_f, kcal/mol:	-147.62
Dipole, Da:	7.52
IP(EA), eV:	-9.03(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2CCS(=O)(=O)CC2)C3=CSC=C3

DOS

IR

Vibrations