Geometry & MOs

Info

ID:	446818
PubChem CID:	135277976
Reduced:	NC9O9H15 (1)
Stoich.:	AB9C9D15 (1)
Weight, g/mol:	420.086781
ΔH_f, kcal/mol:	-390.0
Dipole, Da:	2.62
IP(EA), eV:	-10.29(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-ethylsulfonyl-7-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]quinoline

Drug info:

PubChemData

Smile

C(C(C(=O)O)N)OC(=O)C1C(C([C@H](C(O1)O)O)O)O

DOS

IR

Vibrations