Geometry & MOs

Info

ID:	218432
PubChem CID:	85089432
Reduced:	ClSO2N5H20C23 (1)
Stoich.:	ABC2D5E20F23 (1)
Weight, g/mol:	466.078787
ΔH_f, kcal/mol:	35.42
Dipole, Da:	7.59
IP(EA), eV:	-8.25(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

magnesium;2,3-dihydroxy-3-[2-hydroxy-5-(hydroxymethyl)-1,3,2-dioxaborolan-4-yl]propanoate

Drug info:

PubChemData

Smile

C1CC2=C(C(=NN=C(N)N)C1)C3=C(N2S(=O)(=O)C4=CC=CC5=CC=CC=C54)C=CC(=C3)Cl

DOS

IR

Vibrations