Geometry & MOs

Info

ID:

179221

PubChem CID:

76453253

Reduced:

F2O2N7C27H31 (1)

Stoich.:

A2B2C7D27E31 (1)

Weight, g/mol:

445.22845

ΔHf, kcal/mol:

-65.29

Dipole, Da:

7.12

IP(EA), eV:

 -8.62(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxolane-2,4'-5-oxa-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2(7),13,15-triene]-12'-one

Drug info:

PubChemData

Smile

C1CC2C(CC1C3=CN(N=N3)C4CC(CN(C4)C(=O)OCC5=CC=CC=C5)(F)F)C(NN2)C6=CC=NC=C6

DOS

IR

Vibrations