Geometry & MOs

Info

ID:	434225
PubChem CID:	135174458
Reduced:	F2P2S3O8N10C20H24 (1)
Stoich.:	A2B2C3D8E10F20G24 (1)
Weight, g/mol:	740.058388
ΔH_f, kcal/mol:	-414.15
Dipole, Da:	3.75
IP(EA), eV:	-9.23(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S)-3-[[5-(2-amino-6-oxo-3H-purin-9-yl)-3-fluorothiolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-2-yl]methoxy-sulfanylphosphinic acid

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(SC1N2C3=NC(=NC(=O)C3=NN2)N)COP(=S)(O)O[C@@H]4C(OC(C4F)N5C=CC6=C(N=CN=C65)N)COP(=O)(O)S)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(SC1N2C3=NC(=NC(=O)C3=NN2)N)COP(=S)(O)O[C@@H]4C(OC(C4F)N5C=CC6=C(N=CN=C65)N)COP(=O)(O)S)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):