Geometry & MOs

Info

ID:	321662
PubChem CID:	126666753
Reduced:	SO2N5C19H21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	398.09681
ΔH_f, kcal/mol:	-2.36
Dipole, Da:	4.11
IP(EA), eV:	-8.34(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[8-chloro-1-[(2R,4R)-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)NC2=C3C(=NC=C2NC(=O)CC4=CSC=N4)C=CC=N3

DOS

IR

Vibrations