Geometry & MOs

Info

ID:	402310
PubChem CID:	135055418
Reduced:	PO8C9H17 (1)
Stoich.:	AB8C9D17 (1)
Weight, g/mol:	274.045369
ΔH_f, kcal/mol:	-425.19
Dipole, Da:	5.24
IP(EA), eV:	-10.13(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4,5,6-tetrahydroxy-5-methyl-2-oxohexyl) dihydrogen phosphate

Drug info:

PubChemData

Smile

CC(=O)CCCC(C(C(=O)COP(=O)(O)O)O)O

DOS

IR

Vibrations