Geometry & MOs

Info

ID:	438395
PubChem CID:	135228131
Reduced:	NSO3C15H23 (1)
Stoich.:	ABC3D15E23 (1)
Weight, g/mol:	543.305684
ΔH_f, kcal/mol:	-104.27
Dipole, Da:	3.88
IP(EA), eV:	-8.58(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(O)OCCCC1(CC1)S(=O)NC2=CC=CC=C2

DOS

IR

Vibrations