Geometry & MOs

Info

ID:	294937
PubChem CID:	117506207
Reduced:	BrSO5C10H11 (1)
Stoich.:	ABC5D10E11 (1)
Weight, g/mol:	322.03169
ΔH_f, kcal/mol:	-186.8
Dipole, Da:	3.54
IP(EA), eV:	-10.4(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-bromopyrazol-1-yl)phenyl]-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

COC(=O)C(C1=C(C=CC(=C1)Br)S(=O)(=O)C)O

DOS

IR

Vibrations