Geometry & MOs

Info

ID:	311600
PubChem CID:	126595456
Reduced:	FP2N9O9C20H24 (1)
Stoich.:	AB2C9D9E20F24 (1)
Weight, g/mol:	674.112531
ΔH_f, kcal/mol:	-248.57
Dipole, Da:	17.95
IP(EA), eV:	-8.69(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[(2R,3R,4R,5R)-4-hydroxy-5-(2-hydroxyethyl)-2-(6-oxo-3H-purin-9-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxy-oxophosphanium

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

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC=NC3=O)COP)COPOC4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5NC(=NC6=O)N)OO)F

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

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC=NC3=O)COP)COPOC4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5NC(=NC6=O)N)OO)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):