Geometry & MOs

Info

ID:	202649
PubChem CID:	79705600
Reduced:	FNSC13H16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	314.008408
ΔH_f, kcal/mol:	-7.57
Dipole, Da:	2.07
IP(EA), eV:	-8.77(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(3,5-dichlorophenoxy)methyl]-5-fluorophenyl]boronic acid

Drug info:

PubChemData

Smile

CC(C)SCC1=CC(=CC(=C1)F)C#CCN

DOS

IR

Vibrations