Geometry & MOs

Info

ID:	167702
PubChem CID:	74860219
Reduced:	BrSO4C11H11 (1)
Stoich.:	ABC4D11E11 (1)
Weight, g/mol:	337.90152
ΔH_f, kcal/mol:	-128.34
Dipole, Da:	4.08
IP(EA), eV:	-10.03(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-(3-chloroprop-2-enylsulfonyl)benzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations