Geometry & MOs

Info

ID:	388280
PubChem CID:	134988681
Reduced:	NPSO4C9H20 (1)
Stoich.:	ABCD4E9F20 (1)
Weight, g/mol:	283.072573
ΔH_f, kcal/mol:	-244.22
Dipole, Da:	3.19
IP(EA), eV:	-8.54(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[hydroxy-(2-methylsulfonyloxyacetyl)amino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CCOP(=O)(CC(=S)N(C)CCO)OCC

DOS

IR

Vibrations