Geometry & MOs

Info

ID:	202656
PubChem CID:	79706346
Reduced:	BrOCl2N2H13C15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	298.044665
ΔH_f, kcal/mol:	-21.19
Dipole, Da:	1.61
IP(EA), eV:	-8.95(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(3,4-difluorophenyl)sulfanylmethyl]-5-fluorophenyl]boronic acid

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)Cl)Cl)NC(=O)C2=C(C=C(C=C2)Br)N

DOS

IR

Vibrations