Geometry & MOs

Info

ID:	327186
PubChem CID:	126689173
Reduced:	FSO2C6H10 (1)
Stoich.:	ABC2D6E10 (1)
Weight, g/mol:	449.222703
ΔH_f, kcal/mol:	-125.88
Dipole, Da:	3.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764845
Charge, e:	0

Chem-info

IUPAC name:

8-[6-[3-(azetidin-1-yl)propoxy]-2-fluoropyridin-3-yl]-3-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-2-one

Drug info:

PubChemData

Smile

C1CC(CC(C1)S(=O)[O-])F

DOS

IR

Vibrations