Geometry & MOs

Info

ID:	303765
PubChem CID:	124490147
Reduced:	SF2N3O3H17C21 (1)
Stoich.:	AB2C3D3E17F21 (1)
Weight, g/mol:	404.10062
ΔH_f, kcal/mol:	-110.57
Dipole, Da:	0.53
IP(EA), eV:	-9.35(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations