Geometry & MOs

Info

ID:

168517

PubChem CID:

74982010

Reduced:

SN3O6C24H37 (1)

Stoich.:

AB3C6D24E37 (1)

Weight, g/mol:

894.154729

ΔHf, kcal/mol:

-235.8

Dipole, Da:

4.97

IP(EA), eV:

 -8.48(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

6-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-6-oxohexanoate

Drug info:

PubChemData

Smile

CC(C)(CCCOC1=CC(=C(C=C1)OCCCC(C)(C)C(=O)OC)C=NNC(=S)N)C(=O)OC

DOS

IR

Vibrations