Geometry & MOs

Info

ID:	152618
PubChem CID:	56311595
Reduced:	ClSN2O3H17C18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	474.92754
ΔH_f, kcal/mol:	-48.0
Dipole, Da:	4.06
IP(EA), eV:	-8.88(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dibromophenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CCN(C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C#N

DOS

IR

Vibrations