Geometry & MOs

Info

ID:

144656

PubChem CID:

53394308

Reduced:

NPO10C33H61 (1)

Stoich.:

ABC10D33E61 (1)

Weight, g/mol:

743.184615

ΔHf, kcal/mol:

-534.87

Dipole, Da:

15.51

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754391

Charge, e:

 -3

Chem-info

IUPAC name:

[3-[2,3-di(octanoyloxy)propoxy-oxidophosphoryl]oxy-2,4,5-trihydroxy-6-[hydroxy(oxido)phosphoryl]oxycyclohexyl] hydrogen phosphate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(C)OCC[N+](C)(C)C)OC(=O)CCCC(=O)C=CC(=O)O

DOS

IR

Vibrations