Geometry & MOs

Info

ID:	303261
PubChem CID:	124489429
Reduced:	SCl2N2O2C12H16 (1)
Stoich.:	AB2C2D2E12F16 (1)
Weight, g/mol:	322.030954
ΔH_f, kcal/mol:	-72.43
Dipole, Da:	2.87
IP(EA), eV:	-8.99(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations