Geometry & MOs

Info

ID:	401008
PubChem CID:	135049775
Reduced:	Si2O3C21H40 (1)
Stoich.:	A2B3C21D40 (1)
Weight, g/mol:	210.035065
ΔH_f, kcal/mol:	-212.57
Dipole, Da:	5.66
IP(EA), eV:	-8.68(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-oxo-2-phenylsulfanylpropanoate

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)OCC1=C(OC(=C1)C=O)[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations