Geometry & MOs

Info

ID:	303197
PubChem CID:	124489342
Reduced:	BrSN2O2C12H17 (1)
Stoich.:	ABC2D2E12F17 (1)
Weight, g/mol:	282.140199
ΔH_f, kcal/mol:	-54.37
Dipole, Da:	5.44
IP(EA), eV:	-9.12(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-1-(2,4-dimethylphenyl)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