Geometry & MOs

Info

ID:	152889
PubChem CID:	56311975
Reduced:	ClSN2O5C17H17 (1)
Stoich.:	ABC2D5E17F17 (1)
Weight, g/mol:	359.119129
ΔH_f, kcal/mol:	-78.67
Dipole, Da:	3.45
IP(EA), eV:	-8.77(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CCN(C2)S(=O)(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations