Geometry & MOs

Info

ID:	80570
PubChem CID:	49835190
Reduced:	ClSO3N4H23C24 (1)
Stoich.:	ABC3D4E23F24 (1)
Weight, g/mol:	499.233188
ΔH_f, kcal/mol:	-51.33
Dipole, Da:	5.71
IP(EA), eV:	-8.76(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[8-(6-ethoxypyridin-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C2C(=C1)N=C(C=N2)C3=C(C=C(C=C3)NS(=O)(=O)C)Cl)C4=CC=CNC4=O

DOS

IR

Vibrations