Geometry & MOs

Info

ID:	303260
PubChem CID:	124489428
Reduced:	OSN2C6H8 (2)
Stoich.:	ABC2D6E8 (2)
Weight, g/mol:	322.030954
ΔH_f, kcal/mol:	0.95
Dipole, Da:	5.63
IP(EA), eV:	-9.07(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CNC[C@H]1CCN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32

DOS

IR

Vibrations