Geometry & MOs

Info

ID:	411701
PubChem CID:	135084535
Reduced:	SO3C9H10 (1)
Stoich.:	AB3C9D10 (1)
Weight, g/mol:	254.070972
ΔH_f, kcal/mol:	-82.29
Dipole, Da:	3.68
IP(EA), eV:	-9.75(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chlorophenyl)-2-oxoethyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

COS(=O)(=O)C(=C)C1=CC=CC=C1

DOS

IR

Vibrations