Geometry & MOs

Info

ID:	408251
PubChem CID:	135081013
Reduced:	NO3H9C10 (1)
Stoich.:	AB3C9D10 (1)
Weight, g/mol:	258.050454
ΔH_f, kcal/mol:	-73.85
Dipole, Da:	7.45
IP(EA), eV:	-10.43(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6S)-4,5,6,7-tetrahydroxy-3-oxoheptyl]phosphonic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](C#N)[C@@H](C(=O)O)O

DOS

IR

Vibrations