Geometry & MOs

Info

ID:	139596
PubChem CID:	52567660
Reduced:	SO6C19H20 (1)
Stoich.:	AB6C19D20 (1)
Weight, g/mol:	439.04529
ΔH_f, kcal/mol:	-192.33
Dipole, Da:	2.74
IP(EA), eV:	-8.72(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(2-bromo-4-methylphenyl)sulfonyl-2-(2,4-dimethoxyphenyl)pyrrolidine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)OC2=C(C=C(C=C2)CC=C)OC

DOS

IR

Vibrations