Geometry & MOs

Info

ID:	216295
PubChem CID:	85086006
Reduced:	Cl2O4H8C9 (1)
Stoich.:	A2B4C8D9 (1)
Weight, g/mol:	251.064116
ΔH_f, kcal/mol:	-153.98
Dipole, Da:	6.34
IP(EA), eV:	-10.28(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(carboxymethylamino)-3,4,6-trihydroxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC=C(C1=CC(=O)C(C1(C(=O)O)O)Cl)Cl

DOS

IR

Vibrations