Geometry & MOs

Info

ID:	303238
PubChem CID:	124489399
Reduced:	FSN2O2C13H19 (1)
Stoich.:	ABC2D2E13F19 (1)
Weight, g/mol:	286.115127
ΔH_f, kcal/mol:	-113.36
Dipole, Da:	3.49
IP(EA), eV:	-8.95(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CNC[C@@H]1CCN(C1)S(=O)(=O)CC2=CC=C(C=C2)F

DOS

IR

Vibrations