Geometry & MOs

Info

ID:	167703
PubChem CID:	74860220
Reduced:	BrClSO4H8C10 (1)
Stoich.:	ABCD4E8F10 (1)
Weight, g/mol:	268.07693
ΔH_f, kcal/mol:	-126.3
Dipole, Da:	4.3
IP(EA), eV:	-10.13(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-but-2-enylsulfonyl-4,5-dimethylbenzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1S(=O)(=O)CC=CCl)C(=O)O)Br

DOS

IR

Vibrations