Geometry & MOs

Info

ID:	303201
PubChem CID:	124489347
Reduced:	BrSN2O2C12H17 (1)
Stoich.:	ABC2D2E12F17 (1)
Weight, g/mol:	332.01941
ΔH_f, kcal/mol:	-49.4
Dipole, Da:	4.46
IP(EA), eV:	-8.87(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-1-(2-bromophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CNC[C@@H]1CCN(C1)S(=O)(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations