Geometry & MOs

Info

ID:	350962
PubChem CID:	127279272
Reduced:	NS2O6C16H21 (1)
Stoich.:	AB2C6D16E21 (1)
Weight, g/mol:	353.129694
ΔH_f, kcal/mol:	-218.2
Dipole, Da:	7.28
IP(EA), eV:	-8.78(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-1-(oxan-2-ylmethylsulfonyl)pyrrolidine

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2CCS(=O)(=O)CC2)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations