Geometry & MOs

Info

ID:	384976
PubChem CID:	134978070
Reduced:	FN2P3C11H14O14 (1)
Stoich.:	AB2C3D11E14F14 (1)
Weight, g/mol:	826.368409
ΔH_f, kcal/mol:	-806.13
Dipole, Da:	6.25
IP(EA), eV:	-9.86(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-[fluoro-[hydroxy(oxido)phosphoryl]methyl]phosphinate;triethylazanium

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(C(F)P(=O)([O-])[O-])[O-])O)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(C(F)P(=O)([O-])[O-])[O-])O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):