Geometry & MOs

Info

ID:

17125

PubChem CID:

484742

Reduced:

P2N15O17C63H89 (1)

Stoich.:

A2B15C17D63E89 (1)

Weight, g/mol:

1389.60361

ΔHf, kcal/mol:

-757.12

Dipole, Da:

4.96

IP(EA), eV:

 -8.44(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-[2-(6-aminopurin-9-yl)-5-[[[2-(6-aminopurin-9-yl)-5-[[[2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] 4-O-[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] butanedioate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)CCC(=O)OC3CC(OC3N4C=NC5=C(N=CN=C54)N)COP(=O)(O)OC6CC(OC6N7C=NC8=C(N=CN=C87)N)COP(=O)(O)OC9CC(OC9N1C=NC2=C(N=CN=C21)N)CO)C

DOS

IR

Vibrations