Geometry & MOs

Info

ID:	294989
PubChem CID:	117510973
Reduced:	BrClSO4C9H10 (1)
Stoich.:	ABCD4E9F10 (1)
Weight, g/mol:	328.93351
ΔH_f, kcal/mol:	-145.15
Dipole, Da:	6.29
IP(EA), eV:	-9.38(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromo-6-fluoro-1,3-benzodioxol-5-yl)-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)Br)CS(=O)(=O)Cl)OC

DOS

IR

Vibrations