Geometry & MOs

Info

ID:

44880

PubChem CID:

10506328

Reduced:

NPO7C26H55 (1)

Stoich.:

ABC7D26E55 (1)

Weight, g/mol:

527.215085

ΔHf, kcal/mol:

-437.04

Dipole, Da:

2.67

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.751216

Charge, e:

 0

Chem-info

IUPAC name:

9-[(6aS,8S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-chloropurin-6-amine

Drug info:

PubChemData

Smile

[3H]C(CCCCCCCCCCCCCC)C([3H])OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C

DOS

IR

Vibrations