Geometry & MOs

Info

ID:	402054
PubChem CID:	135054085
Reduced:	PO8C12H17 (1)
Stoich.:	AB8C12D17 (1)
Weight, g/mol:	274.045369
ΔH_f, kcal/mol:	-380.13
Dipole, Da:	3.34
IP(EA), eV:	-9.47(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5R)-3,4,5-trihydroxy-6-methoxy-2-oxohexyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC(C(C(=O)COP(=O)(O)O)O)O

DOS

IR

Vibrations