Geometry & MOs

Info

ID:	227080
PubChem CID:	87560109
Reduced:	SO5C12H16 (1)
Stoich.:	AB5C12D16 (1)
Weight, g/mol:	266.075015
ΔH_f, kcal/mol:	-174.49
Dipole, Da:	6.15
IP(EA), eV:	-9.52(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azanium;(2S)-2-(dicarboxymethylamino)-5-hydroxy-5-oxopentanoate

Drug info:

PubChemData

Smile

C=COCCOCCC1=CC=C(C=C1)S(=O)(=O)O

DOS

IR

Vibrations