Geometry & MOs

Info

ID:

3460

PubChem CID:

9687

Reduced:

PN5O8C18H24 (1)

Stoich.:

AB5C8D18E24 (1)

Weight, g/mol:

469.13625

ΔHf, kcal/mol:

-355.6

Dipole, Da:

5.74

IP(EA), eV:

 -9.51(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4aR,6R,7R,7aR)-6-[6-(butanoylamino)purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate

Drug info:

PubChemData

Smile

CCCC(=O)NC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)OC(=O)CCC

DOS

IR

Vibrations