Geometry & MOs

Info

ID:

395007

PubChem CID:

135024411

Reduced:

P2N10O13C22H30 (1)

Stoich.:

A2B10C13D22E30 (1)

Weight, g/mol:

282.140851

ΔHf, kcal/mol:

-543.23

Dipole, Da:

3.02

IP(EA), eV:

 -9.06(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,7,12,15-tetramethylpentacyclo[8.6.1.12,5.013,17.09,18]octadeca-1(16),2(18),3,5,7,9,11,13(17),14-nonaene

Drug info:

PubChemData

Smile

CO[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OC4[C@H](O[C@H]([C@@H]4O)N5C=NC6=C(N=CN=C65)N)COP(=O)(O)OC

DOS

IR

Vibrations