Geometry & MOs

Info

ID:	212977
PubChem CID:	81062434
Reduced:	ClSN2O4C11H17 (1)
Stoich.:	ABC2D4E11F17 (1)
Weight, g/mol:	269.159852
ΔH_f, kcal/mol:	-161.69
Dipole, Da:	3.28
IP(EA), eV:	-9.61(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-fluoro-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]boronic acid

Drug info:

PubChemData

Smile

CC(C)OCCN(C)S(=O)(=O)C1=CNC(=O)C(=C1)Cl

DOS

IR

Vibrations