Geometry & MOs

Info

ID:

215656

PubChem CID:

85085038

Reduced:

S2O11N15C51H71 (1)

Stoich.:

A2B11C15D51E71 (1)

Weight, g/mol:

1145.275669

ΔHf, kcal/mol:

-455.37

Dipole, Da:

6.23

IP(EA), eV:

 -9.12(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] [3-[hydroxy-[[3-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl hydrogen phosphate

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C(CS)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC4=CC=CC=C4C=C3)NC(=O)C(CS)N)C(=O)NC(CCCCN=C(N)N)C(=O)NCC(=O)N

DOS

IR

Vibrations