Geometry & MOs

Info

ID:	303251
PubChem CID:	124489416
Reduced:	SN2O3C13H20 (1)
Stoich.:	AB2C3D13E20 (1)
Weight, g/mol:	362.02998
ΔH_f, kcal/mol:	-97.63
Dipole, Da:	5.68
IP(EA), eV:	-9.09(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CNC[C@H]1CCN(C1)S(=O)(=O)C2=CC=CC=C2OC

DOS

IR

Vibrations