Geometry & MOs

Info

ID:	321645
PubChem CID:	126666720
Reduced:	FOSN6H19C21 (1)
Stoich.:	ABCD6E19F21 (1)
Weight, g/mol:	422.132509
ΔH_f, kcal/mol:	58.88
Dipole, Da:	4.14
IP(EA), eV:	-9.22(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[8-fluoro-1-(2-methyloxan-4-yl)imidazo[4,5-c]quinolin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazole

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)F)CC5=CN6C(=N5)SC=N6

DOS

IR

Vibrations