Geometry & MOs

Info

ID:	258353
PubChem CID:	103153133
Reduced:	N2O2C5H8 (2)
Stoich.:	A2B2C5D8 (2)
Weight, g/mol:	267.077658
ΔH_f, kcal/mol:	-124.61
Dipole, Da:	4.19
IP(EA), eV:	-10.31(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-(2-methylsulfonylpropanoylamino)butanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)CCN1C=CN=N1

DOS

IR

Vibrations