Geometry & MOs

Info

ID:	344749
PubChem CID:	127268337
Reduced:	SN2O4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	375.114044
ΔH_f, kcal/mol:	-102.21
Dipole, Da:	5.59
IP(EA), eV:	-8.63(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3OCCO4

DOS

IR

Vibrations