Geometry & MOs

Info

ID:	18643
PubChem CID:	545102
Reduced:	SO3C9H16 (1)
Stoich.:	AB3C9D16 (1)
Weight, g/mol:	204.082016
ΔH_f, kcal/mol:	-165.06
Dipole, Da:	1.43
IP(EA), eV:	-9.46(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-tert-butylsulfanyl-3-oxopropanoate

Drug info:

PubChemData

Smile

CCOC(=O)CC(=O)SC(C)(C)C

DOS

IR

Vibrations