Geometry & MOs

Info

ID:	227995
PubChem CID:	87563199
Reduced:	BrSO3H5C8 (1)
Stoich.:	ABC3D5E8 (1)
Weight, g/mol:	261.92993
ΔH_f, kcal/mol:	-70.65
Dipole, Da:	5.74
IP(EA), eV:	-9.48(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-hydroxy-4-(sulfanylmethyl)benzoic acid

Drug info:

PubChemData

Smile

C1=C(C(=C/C(=C/S)/C1=O)Br)C(=O)O

DOS

IR

Vibrations