Geometry & MOs

Info

ID:	321644
PubChem CID:	126666719
Reduced:	F3N3O5C25H26 (1)
Stoich.:	A3B3C5D25E26 (1)
Weight, g/mol:	422.132509
ΔH_f, kcal/mol:	-229.8
Dipole, Da:	8.12
IP(EA), eV:	-9.12(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[8-fluoro-1-[(2S,4S)-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)N(CC2=C(C=C(C=C2)OC)OC)C3=C4C=C(C=CC4=NC=C3[N+](=O)[O-])C(F)(F)F

DOS

IR

Vibrations