Geometry & MOs

Info

ID:	258338
PubChem CID:	103153032
Reduced:	SO4N5C11H13 (1)
Stoich.:	AB4C5D11E13 (1)
Weight, g/mol:	219.110673
ΔH_f, kcal/mol:	-60.3
Dipole, Da:	11.03
IP(EA), eV:	-9.85(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1=C(C=CS1)N2C=NN=N2

DOS

IR

Vibrations