Geometry & MOs

Info

ID:	338989
PubChem CID:	127260000
Reduced:	BrSO3C24H41 (1)
Stoich.:	ABC3D24E41 (1)
Weight, g/mol:	332.96704
ΔH_f, kcal/mol:	-186.41
Dipole, Da:	6.44
IP(EA), eV:	-10.16(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzenesulfonyl (2S)-4-bromopyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC(CCCOS(=O)(=O)C1=CC=CC=C1)Br

DOS

IR

Vibrations