Geometry & MOs

Info

ID:	149243
PubChem CID:	53788915
Reduced:	NO2S2C8H17 (1)
Stoich.:	AB2C2D8E17 (1)
Weight, g/mol:	180.018936
ΔH_f, kcal/mol:	-106.33
Dipole, Da:	2.43
IP(EA), eV:	-8.78(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chlorooxy-3,3-dimethyl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCSC(CC(C(=O)O)N)SCC

DOS

IR

Vibrations