Geometry & MOs

Info

ID:	284486
PubChem CID:	104050286
Reduced:	NSO3C14H27 (1)
Stoich.:	ABC3D14E27 (1)
Weight, g/mol:	220.07693
ΔH_f, kcal/mol:	-161.2
Dipole, Da:	2.52
IP(EA), eV:	-8.58(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,2-dimethyl-4-methylsulfinyl-3-oxobutanoate

Drug info:

PubChemData

Smile

CCN(CC)CCSCC(=O)C(C)(C)C(=O)OCC

DOS

IR

Vibrations