Geometry & MOs

Info

ID:	220557
PubChem CID:	85197768
Reduced:	SiO5C16H28 (1)
Stoich.:	AB5C16D28 (1)
Weight, g/mol:	329.093309
ΔH_f, kcal/mol:	-277.8
Dipole, Da:	6.19
IP(EA), eV:	-9.21(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-acetamido-3-hydroxy-3-(4-methylsulfonylphenyl)propanoate

Drug info:

PubChemData

Smile

CC1(OCC(O1)C(C2=CC(=O)OC2)O[Si](C)(C)C(C)(C)C)C

DOS

IR

Vibrations