Geometry & MOs

Info

ID:

51744

PubChem CID:

12014473

Reduced:

OBr2H15C19 (2)

Stoich.:

AB2C15D19 (2)

Weight, g/mol:

962.14294

ΔHf, kcal/mol:

58.81

Dipole, Da:

6.26

IP(EA), eV:

 -8.33(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

28,57-bis(bromomethyl)-3,24,32,53-tetraoxaundecacyclo[53.3.1.126,30.04,13.07,12.014,23.015,20.033,42.036,41.043,52.044,49]hexaconta-1(59),4(13),5,7,9,11,14(23),15,17,19,21,26(60),27,29,33(42),34,36,38,40,43(52),44,46,48,50,55,57-hexacosaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)OCC5=CC(=CC(=C5)CBr)CBr)OCC6=CC(=CC(=C6)CBr)CBr

DOS

IR

Vibrations