Geometry & MOs

Info

ID:	291972
PubChem CID:	113998980
Reduced:	SO3C15H22 (1)
Stoich.:	AB3C15D22 (1)
Weight, g/mol:	248.098334
ΔH_f, kcal/mol:	-130.09
Dipole, Da:	2.97
IP(EA), eV:	-9.6(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-aminoquinolin-8-yl)sulfanylbutan-2-ol

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)CS(=O)(=O)C(C)C(C)C

DOS

IR

Vibrations