Geometry & MOs

Info

ID:

189862

PubChem CID:

77916166

Reduced:

SP3N7O18C41H66 (1)

Stoich.:

AB3C7D18E41F66 (1)

Weight, g/mol:

676.115605

ΔHf, kcal/mol:

-962.48

Dipole, Da:

9.93

IP(EA), eV:

 -9.47(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 -2

Chem-info

IUPAC name:

2-amino-9-[17-(6-aminopurin-9-yl)-9,18-dihydroxy-3,12-dioxido-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-2,3,4,5-tetrahydro-1H-purin-6-one

Drug info:

PubChemData

Smile

CCCCCC=CCC=CCC=CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O

DOS

IR

Vibrations