Geometry & MOs

Info

ID:

398755

PubChem CID:

135035238

Reduced:

ISN3O5C24H24 (1)

Stoich.:

ABC3D5E24F24 (1)

Weight, g/mol:

760.243735

ΔHf, kcal/mol:

-31.86

Dipole, Da:

5.77

IP(EA), eV:

 -9.53(-1.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-hydroxy-12,14,29,32,35,40,43,46-octaoxa-13lambda5-phosphaoctacyclo[45.2.2.225,28.02,11.04,9.010,16.015,24.017,22]tripentaconta-1(49),2,4,6,8,10,15,17,19,21,23,25(53),26,28(52),37,47,50-heptadecaene 13-oxide

Drug info:

PubChemData

Smile

C/C=C(/CN(CCC12CC(=O)CCC1=NC3=CC=CC=C23)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])\I

DOS

IR

Vibrations