Geometry & MOs

Info

ID:	373665
PubChem CID:	131318474
Reduced:	SO2F3H5C9 (1)
Stoich.:	AB2C3D5E9 (1)
Weight, g/mol:	285.164857
ΔH_f, kcal/mol:	-210.52
Dipole, Da:	3.74
IP(EA), eV:	-9.03(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1C=C(S2)O)O)C(F)(F)F

DOS

IR

Vibrations