Geometry & MOs

Info

ID:

8961

PubChem CID:

84080

Reduced:

SP2N9O13C28H45 (1)

Stoich.:

AB2C9D13E28F45 (1)

Weight, g/mol:

809.233278

ΔHf, kcal/mol:

-663.93

Dipole, Da:

18.23

IP(EA), eV:

 -8.7(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4-dihydroxy-5-[6-[[2-oxo-2-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexylamino]ethyl]amino]purin-9-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

C1C2C(C(S1)CCCCC(=O)NCCCCCCNC(=O)CNC3=C4C(=NC=N3)N(C=N4)C5C(C(C(O5)COP(=O)(O)OP(=O)(O)O)O)O)NC(=O)N2

DOS

IR

Vibrations