Geometry & MOs

Info

ID:

168388

PubChem CID:

74960104

Reduced:

PtN2O4C15H22 (1)

Stoich.:

AB2C4D15E22 (1)

Weight, g/mol:

1059.319055

ΔHf, kcal/mol:

-44.54

Dipole, Da:

13.71

IP(EA), eV:

 -7.31(-2.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-[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]ethyl] 3-hydroxy-8-(3-oxo-2-pent-2-enylcyclopentyl)octanethioate

Drug info:

PubChemData

Smile

C1CCC(C(C1)N)N.C1=CC(=C(C=C1C=CC(=O)O)O)O.[Pt+4]

DOS

IR

Vibrations