Geometry & MOs

Info

ID:

310465

PubChem CID:

126580598

Reduced:

O3N8C21H28 (1)

Stoich.:

A3B8C21D28 (1)

Weight, g/mol:

1064.450031

ΔHf, kcal/mol:

-17.95

Dipole, Da:

1.98

IP(EA), eV:

 -9.06(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(19R)-26-(4-chlorobutoxy)-11,23-bis(dipropoxyphosphoryl)-28-(4-dipropoxyphosphorylbutoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,21,23-undecaene-25,27-diol

Drug info:

PubChemData

Smile

C1COCCC1C2=C3C(=NC(=N2)C4=CN=C(N=C4)N)N(C=N3)CCCCCCC(=O)NO

DOS

IR

Vibrations