Geometry & MOs

Info

ID:	421115
PubChem CID:	135115398
Reduced:	SF2N2O4C14H18 (1)
Stoich.:	AB2C2D4E14F18 (1)
Weight, g/mol:	343.169605
ΔH_f, kcal/mol:	-233.22
Dipole, Da:	5.25
IP(EA), eV:	-9.92(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-methylamino]methyl]-8-fluoro-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CC(=C(C=C2)F)F

DOS

IR

Vibrations