Geometry & MOs

Info

ID:	438403
PubChem CID:	135228140
Reduced:	SN3O6C23H27 (1)
Stoich.:	AB3C6D23E27 (1)
Weight, g/mol:	513.295119
ΔH_f, kcal/mol:	-220.7
Dipole, Da:	3.86
IP(EA), eV:	-8.97(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCSNC(=O)OCC1C2=C(C=CC(=C2)C(=O)NCCO)C3=C1C=C(C=C3)C(=O)NCCO

DOS

IR

Vibrations