Geometry & MOs

Info

ID:

191735

PubChem CID:

78182877

Reduced:

ClNO2H10C14 (1)

Stoich.:

ABC2D10E14 (1)

Weight, g/mol:

878.405154

ΔHf, kcal/mol:

-6.96

Dipole, Da:

4.97

IP(EA), eV:

 -9.52(-1.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[[2-amino-3-(4-methoxyphenyl)propanoyl]amino]-5-[6-(dimethylamino)purin-9-yl]-4-hydroxyoxolan-2-yl]methyl [2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-3-yl] hydrogen phosphate;N,N-diethylethanamine

Drug info:

PubChemData

Smile

COC1C=CC2=NC3=C(C=CC(=C3)Cl)C(=O)C2=C1

DOS

IR

Vibrations