Geometry & MOs

Info

ID:

215405

PubChem CID:

85084687

Reduced:

NO9C21H31 (2)

Stoich.:

AB9C21D31 (2)

Weight, g/mol:

884.349523

ΔHf, kcal/mol:

-645.62

Dipole, Da:

2.42

IP(EA), eV:

 -10.1(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-hydroxy-1,3,4-tris(phenylmethoxy)-5-(1-tritylimidazol-2-yl)pentan-2-yl] phenylmethanesulfonate

Drug info:

PubChemData

Smile

CC1C2C(CC(O1)OC3C(OC(CC3O[N+](=O)[O-])OC4C(OC(CC4O)OC5CCC6(C(C5)CCC7C6CCC8(C7(CC(C8C9=CC(=O)OC9)O[N+](=O)[O-])O)C)C)C)C)OCO2

DOS

IR

Vibrations