Geometry & MOs

Info

ID:	303209
PubChem CID:	124489359
Reduced:	SO2N3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	346.03506
ΔH_f, kcal/mol:	-30.61
Dipole, Da:	4.49
IP(EA), eV:	-8.92(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC[C@@H]1CCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

DOS

IR

Vibrations