Geometry & MOs

Info

ID:	303231
PubChem CID:	124489388
Reduced:	SN2O2F3C13H17 (1)
Stoich.:	AB2C2D3E13F17 (1)
Weight, g/mol:	314.130028
ΔH_f, kcal/mol:	-218.04
Dipole, Da:	5.19
IP(EA), eV:	-9.19(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations