Geometry & MOs

Info

ID:	321650
PubChem CID:	126666728
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	442.0463
ΔH_f, kcal/mol:	-17.43
Dipole, Da:	2.92
IP(EA), eV:	-8.56(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[8-bromo-1-[(2S,4S)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)OC)CC5=NOC(=C5)C

DOS

IR

Vibrations