Geometry & MOs

Info

ID:	146791
PubChem CID:	53751155
Reduced:	NO3H9C10 (1)
Stoich.:	AB3C9D10 (1)
Weight, g/mol:	309.985485
ΔH_f, kcal/mol:	-86.96
Dipole, Da:	6.68
IP(EA), eV:	-9.21(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R,4S)-1,2,3,4-tetrahydroxy-5-oxo-4-phosphonopentan-2-yl]phosphonic acid

Drug info:

PubChemData

Smile

C1CN=C(C2=C1C=CC(=C2)O)C(=O)O

DOS

IR

Vibrations