Geometry & MOs

Info

ID:	344798
PubChem CID:	127268436
Reduced:	NSO5C19H21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	345.103479
ΔH_f, kcal/mol:	-147.5
Dipole, Da:	6.97
IP(EA), eV:	-9.0(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2CCCN2S(=O)(=O)C3=CC=CC4=C3OCCO4

DOS

IR

Vibrations