Geometry & MOs

Info

ID:	303247
PubChem CID:	124489409
Reduced:	SCl2N2O2C12H16 (1)
Stoich.:	AB2C2D2E12F16 (1)
Weight, g/mol:	322.030954
ΔH_f, kcal/mol:	-69.13
Dipole, Da:	3.37
IP(EA), eV:	-8.9(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-1-(2,3-dichlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations