Geometry & MOs

Info

ID:

169372

PubChem CID:

75093925

Reduced:

N9O10F17C33H36 (1)

Stoich.:

A9B10C17D33E36 (1)

Weight, g/mol:

405.19715

ΔHf, kcal/mol:

-1180.64

Dipole, Da:

6.51

IP(EA), eV:

 -10.2(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5-oxoheptyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1CN(C(=O)N(C1=O)CC2=CN(N=N2)C3C(C(C(C(O3)CO)O)O)O)C4CC(C(O4)CN5C=C(N=N5)CNC(=O)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O

DOS

IR

Vibrations