Geometry & MOs

Info

ID:	57029
PubChem CID:	22395238
Reduced:	NCl2O2H5C7 (1)
Stoich.:	AB2C2D5E7 (1)
Weight, g/mol:	200.01433
ΔH_f, kcal/mol:	-48.51
Dipole, Da:	5.56
IP(EA), eV:	-9.14(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-1-phenylethanesulfonic acid

Drug info:

PubChemData

Smile

C1=C(C(=O)C(=CN1CC=O)Cl)Cl

DOS

IR

Vibrations