Geometry & MOs

Info

ID:	432193
PubChem CID:	135172325
Reduced:	OF3N6C24H27 (1)
Stoich.:	AB3C6D24E27 (1)
Weight, g/mol:	657.882109
ΔH_f, kcal/mol:	-107.4
Dipole, Da:	3.3
IP(EA), eV:	-8.75(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,4R,5S)-3-[dihydroxy(methylidene)-lambda5-phosphanyl]oxy-2,4,5,6-tetraphosphonooxycyclohexyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)C2=NC(=C(C(=C2)NCC3=C(N=CC=C3)C(F)(F)F)C(=N)C(C)C)NC

DOS

IR

Vibrations