Geometry & MOs

Info

ID:	345076
PubChem CID:	127268836
Reduced:	SN2O5C16H22 (1)
Stoich.:	AB2C5D16E22 (1)
Weight, g/mol:	345.103479
ΔH_f, kcal/mol:	-189.02
Dipole, Da:	8.7
IP(EA), eV:	-9.4(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CNS(=O)(=O)C2=CC=CC3=C2OCCO3

DOS

IR

Vibrations