Geometry & MOs

Info

ID:	303252
PubChem CID:	124489417
Reduced:	BrSN2O3C13H19 (1)
Stoich.:	ABC2D3E13F19 (1)
Weight, g/mol:	362.02998
ΔH_f, kcal/mol:	-95.88
Dipole, Da:	5.68
IP(EA), eV:	-8.87(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations