Geometry & MOs

Info

ID:	167701
PubChem CID:	74860218
Reduced:	BrFSO4H10C11 (1)
Stoich.:	ABCD4E10F11 (1)
Weight, g/mol:	317.95614
ΔH_f, kcal/mol:	-173.95
Dipole, Da:	3.44
IP(EA), eV:	-10.08(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-but-2-enylsulfonylbenzoic acid

Drug info:

PubChemData

Smile

CC=CCS(=O)(=O)C1=CC(=CC(=C1F)C(=O)O)Br

DOS

IR

Vibrations