Geometry & MOs

Info

ID:	249488
PubChem CID:	103089934
Reduced:	FSN2O2Cl3H6C11 (1)
Stoich.:	ABC2D2E3F6G11 (1)
Weight, g/mol:	261.118735
ΔH_f, kcal/mol:	-85.37
Dipole, Da:	4.35
IP(EA), eV:	-9.6(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methylsulfanyl-1-quinolin-2-ylpentan-2-ol

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)Cl)NS(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl

DOS

IR

Vibrations