Geometry & MOs

Info

ID:

14829

PubChem CID:

421965

Reduced:

P5N16O35C49H63 (1)

Stoich.:

A5B16C35D49E63 (1)

Weight, g/mol:

1590.232983

ΔHf, kcal/mol:

-1700.32

Dipole, Da:

21.31

IP(EA), eV:

 -9.18(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-(2-amino-6-oxo-3H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-3H-purin-9-yl)-3-[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)OP(=O)(O)OCC3C(CC(O3)N4C=NC5=C4NC(=NC5=O)N)OP(=O)(O)OCC6C(CC(O6)N7C=C(C(=O)NC7=O)C)OP(=O)(O)OCC8C(CC(O8)N9C=NC1=C9NC(=NC1=O)N)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)O

DOS

IR

Vibrations