Geometry & MOs

Info

ID:	18796
PubChem CID:	548379
Reduced:	SO4C7H12 (1)
Stoich.:	AB4C7D12 (1)
Weight, g/mol:	192.04563
ΔH_f, kcal/mol:	-185.27
Dipole, Da:	4.68
IP(EA), eV:	-9.36(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3-(methylsulfanylmethoxy)-3-oxopropanoic acid

Drug info:

PubChemData

Smile

CC(C)(C(=O)O)C(=O)OCSC

DOS

IR

Vibrations