Geometry & MOs

Info

ID:	144679
PubChem CID:	53397101
Reduced:	O4H28C33 (1)
Stoich.:	A4B28C33 (1)
Weight, g/mol:	196.016559
ΔH_f, kcal/mol:	-73.34
Dipole, Da:	1.06
IP(EA), eV:	-9.26(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-fluoro-1-benzothiophen-2-yl)boronic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=C(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O)CC(=O)O)C4=CC=CC=C4

DOS

IR

Vibrations