Geometry & MOs

Info

ID:	303766
PubChem CID:	124490148
Reduced:	SF2N2O3H18C20 (1)
Stoich.:	AB2C2D3E18F20 (1)
Weight, g/mol:	404.10062
ΔH_f, kcal/mol:	-145.4
Dipole, Da:	8.67
IP(EA), eV:	-9.58(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[7-fluoro-3-(4-fluorophenyl)sulfonylquinolin-4-yl]pyrrolidin-2-yl]methanol

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C2=C3C=CC(=CC3=NC=C2S(=O)(=O)C4=CC=C(C=C4)F)F)CO

DOS

IR

Vibrations