Geometry & MOs

Info

ID:	179769
PubChem CID:	76528884
Reduced:	SO4N5C38H55 (1)
Stoich.:	AB4C5D38E55 (1)
Weight, g/mol:	249.133637
ΔH_f, kcal/mol:	-174.89
Dipole, Da:	4.91
IP(EA), eV:	-9.33(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CCC(CC2=CC=CC=C2)NC(=O)OCC(C)(C)C)CC3=CC=CC=C3

DOS

IR

Vibrations