Geometry & MOs

Info

ID:	84463
PubChem CID:	49866517
Reduced:	PSN3O5C10H16 (1)
Stoich.:	ABC3D5E10F16 (1)
Weight, g/mol:	807.010484
ΔH_f, kcal/mol:	-243.6
Dipole, Da:	8.21
IP(EA), eV:	-9.39(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	-4

Chem-info

IUPAC name:

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate

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

C[C@@H]1CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](S2)CO[P+](=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

C[C@@H]1CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](S2)CO[P+](=O)[O-])O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):