Geometry & MOs

Info

ID:	151593
PubChem CID:	55161568
Reduced:	ClSN4C13H17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	272.088975
ΔH_f, kcal/mol:	47.81
Dipole, Da:	4.16
IP(EA), eV:	-8.83(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-2-(3-methylsulfonylpropoxy)phenyl]boronic acid

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(=NC(=N2)CSC3CCCCC3)Cl

DOS

IR

Vibrations