Geometry & MOs

Info

ID:	434292
PubChem CID:	135174605
Reduced:	ClP2N8O12C21H25 (1)
Stoich.:	AB2C8D12E21F25 (1)
Weight, g/mol:	675.08484
ΔH_f, kcal/mol:	-527.14
Dipole, Da:	8.51
IP(EA), eV:	-9.38(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[5-(2-amino-6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)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(OC1COP(=O)(O)OC2CC(OC2N3C=NC4=C3NC(=NC4=O)N)COP(=O)(O)O)N5C=CC6=C5N=CN=C6Cl)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

C1[C@H](C(OC1COP(=O)(O)OC2CC(OC2N3C=NC4=C3NC(=NC4=O)N)COP(=O)(O)O)N5C=CC6=C5N=CN=C6Cl)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):