Geometry & MOs

Info

ID:

311585

PubChem CID:

126594136

Reduced:

PN10O10C20H25 (1)

Stoich.:

AB10C10D20E25 (1)

Weight, g/mol:

608.149274

ΔHf, kcal/mol:

-370.46

Dipole, Da:

8.06

IP(EA), eV:

 -9.16(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-9-[(5S,6S,7R,14R,15R,17S)-7-(6-aminopurin-9-yl)-6,12,17-trihydroxy-12-oxo-2,8,11,13,16-pentaoxa-12lambda5-phosphatricyclo[12.2.1.05,9]heptadecan-15-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=NC6=C5NC(=NC6=O)N)CO)O)O

DOS

IR

Vibrations