Geometry & MOs

Info

ID:	321704
PubChem CID:	126666829
Reduced:	F3O3N6C19H19 (1)
Stoich.:	A3B3C6D19E19 (1)
Weight, g/mol:	404.14193
ΔH_f, kcal/mol:	-180.01
Dipole, Da:	7.97
IP(EA), eV:	-9.1(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H](C[C@H]([C@@H]1NC2=NC=NC3=NNC(=C32)C(=O)N[C@H](CO)C4=C(C=CC(=C4)F)F)O)F

DOS

IR

Vibrations