Geometry & MOs

Info

ID:	531
PubChem CID:	2936
Reduced:	PC3O6H7 (2)
Stoich.:	AB3C6D7 (2)
Weight, g/mol:	339.99605
ΔH_f, kcal/mol:	-662.13
Dipole, Da:	7.91
IP(EA), eV:	-10.7(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1(C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O

DOS

IR

Vibrations