Geometry & MOs

Info

ID:	350964
PubChem CID:	127279274
Reduced:	SN3O5H17C18 (1)
Stoich.:	AB3C5D17E18 (1)
Weight, g/mol:	339.114044
ΔH_f, kcal/mol:	-77.27
Dipole, Da:	6.67
IP(EA), eV:	-9.12(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC2=C1C=C(C=N2)S(=O)(=O)N3CCCC3C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations