Geometry & MOs

Info

ID:	202658
PubChem CID:	79706597
Reduced:	BFSN2O3C10H10 (1)
Stoich.:	ABCD2E3F10G10 (1)
Weight, g/mol:	264.054007
ΔH_f, kcal/mol:	-170.08
Dipole, Da:	4.44
IP(EA), eV:	-9.5(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-fluoro-5-(pyrimidin-4-ylsulfanylmethyl)phenyl]boronic acid

Drug info:

PubChemData

Smile

B(C1=CC(=CC(=C1)F)CSC2=NN=C(O2)C)(O)O

DOS

IR

Vibrations