Geometry & MOs

Info

ID:

163264

PubChem CID:

57672303

Reduced:

N3O4C28H47 (1)

Stoich.:

A3B4C28D47 (1)

Weight, g/mol:

919.19894

ΔHf, kcal/mol:

-235.26

Dipole, Da:

3.36

IP(EA), eV:

 -9.22(0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-5-methyl-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-oxooct-5-enethioate

Drug info:

PubChemData

Smile

C[C@@H](CCCC(C)C)N1C(N[C@H](C1=O)[C@H]([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)C(C)C

DOS

IR

Vibrations