Geometry & MOs

Info

ID:	303246
PubChem CID:	124489408
Reduced:	ClFSN2O2C12H16 (1)
Stoich.:	ABCD2E2F12G16 (1)
Weight, g/mol:	322.030954
ΔH_f, kcal/mol:	-112.41
Dipole, Da:	4.92
IP(EA), eV:	-9.16(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations