Geometry & MOs

Info

ID:	344797
PubChem CID:	127268435
Reduced:	SN3O4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	375.114044
ΔH_f, kcal/mol:	-84.38
Dipole, Da:	5.94
IP(EA), eV:	-8.9(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-2-(3-methoxyphenyl)pyrrolidine

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC5=C4OCCO5

DOS

IR

Vibrations