Geometry & MOs

Info

ID:	125202
PubChem CID:	50914786
Reduced:	NO3F5C19H22 (1)
Stoich.:	AB3C5D19E22 (1)
Weight, g/mol:	384.014022
ΔH_f, kcal/mol:	-342.69
Dipole, Da:	4.99
IP(EA), eV:	-9.4(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[hydroxy-[hydroxy-[(E)-4-hydroxy-3-methylbut-2-enoxy]phosphoryl]oxyphosphoryl] propyl hydrogen phosphate

Drug info:

PubChemData

Smile

C1CC[C@]23CCN[C@H]([C@H]2C1)CC4=CC(=C(C=C34)O)C(F)F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations