Geometry & MOs

Info

ID:

394906

PubChem CID:

135024104

Reduced:

P2N7O13C19H29 (1)

Stoich.:

A2B7C13D19E29 (1)

Weight, g/mol:

557.245878

ΔHf, kcal/mol:

-609.58

Dipole, Da:

8.63

IP(EA), eV:

 -8.93(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[2-[[2-(6-aminopurin-9-yl)acetyl]-ethylamino]acetyl]amino]ethyl]-N-[2-(methylamino)-2-oxoethyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

Drug info:

PubChemData

Smile

COC[C@H](COP(=O)(O)OC[C@H](COP(=O)(O)OC)OCN1C=NC2=C(N=CN=C21)N)OCN3C=CC(=O)NC3=O

DOS

IR

Vibrations