Geometry & MOs

Info

ID:	384560
PubChem CID:	134977220
Reduced:	PH6C9O12 (1)
Stoich.:	AB6C9D12 (1)
Weight, g/mol:	513.93912
ΔH_f, kcal/mol:	-518.8
Dipole, Da:	3.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.782789
Charge, e:	-4

Chem-info

IUPAC name:

[difluoro(phosphonato)methyl]-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxyphosphinate

Drug info:

PubChemData

Smile

C1C(=O)O[P-]23(OC1=O)(OC(=O)CC(=O)O2)OC(=O)CC(=O)O3

DOS

IR

Vibrations