Geometry & MOs

Info

ID:	384820
PubChem CID:	134977735
Reduced:	IMgSCl2O4H11C19 (1)
Stoich.:	ABCD2E4F11G19 (1)
Weight, g/mol:	627.07323
ΔH_f, kcal/mol:	-37.18
Dipole, Da:	16.05
IP(EA), eV:	-8.62(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphinoselenoyl]oxymethyl]oxolan-3-ol

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=CC=C(C=C1)C(=O)C2=C([C-]=CC(=C2)I)OS(=O)(=O)C3=CC=C(C=C3)Cl.[Mg+2].[Cl-]

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=CC=C(C=C1)C(=O)C2=C([C-]=CC(=C2)I)OS(=O)(=O)C3=CC=C(C=C3)Cl.[Mg+2].[Cl-]

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):