Geometry & MOs

Info

ID:	303196
PubChem CID:	124489341
Reduced:	BrSN2O2C12H17 (1)
Stoich.:	ABC2D2E12F17 (1)
Weight, g/mol:	332.01941
ΔH_f, kcal/mol:	-55.24
Dipole, Da:	3.14
IP(EA), eV:	-8.95(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations