Geometry & MOs

Info

ID:	438405
PubChem CID:	135228143
Reduced:	O3N5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	544.300933
ΔH_f, kcal/mol:	-76.21
Dipole, Da:	5.45
IP(EA), eV:	-8.56(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-[(ethoxyamino)methoxy]acetyl]amino]-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CCOCC1=NC2=C(N1CC(C)(C)O)C3=CC=CC=C3N=C2NC(=O)CN

DOS

IR

Vibrations