Geometry & MOs

Info

ID:	84461
PubChem CID:	49866514
Reduced:	PN3O7C12H16 (1)
Stoich.:	AB3C7D12E16 (1)
Weight, g/mol:	716.064871
ΔH_f, kcal/mol:	-334.58
Dipole, Da:	3.83
IP(EA), eV:	-8.75(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-3-[[(2S,3R,5S,6S)-2,6-dihydroxy-3,4,5-triphosphonooxycyclohexyl]oxy-hydroxyphosphoryl]oxy-2-[(1S)-1-hydroxybutoxy]propyl] butanoate

Drug info:

PubChemData

Smile

CC1=CC2=CN(C(=O)N=C2N1)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O

DOS

IR

Vibrations