Geometry & MOs

Info

ID:

388581

PubChem CID:

134989546

Reduced:

N4C70H113 (2)

Stoich.:

A4B70C113 (2)

Weight, g/mol:

1502.143987

ΔHf, kcal/mol:

-65.73

Dipole, Da:

12.71

IP(EA), eV:

 -7.9(-2.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,23,32-tris(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)-14-(2,2,3,4,4,5,5,5-octafluoro-3-methylpentoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC1(CC2=CC3=C(C=C2C1)C4=NC5=NC(=NC6=NC(=NC7=C8C=C9CC(CC9=CC8=C(N7)N=C3N4)(CCCCCCCCCCCC)CCCCCCCCCCCC)C1=C6C=C2CC(CC2=C1)(CCCCCCCCCCCC)CCCCCCCCCCCC)C1=C5C=C2CC(CC2=C1)(CCCCCCCCCCCC)CCCCCCCCCCCC)CCCCCCCCCCCC

DOS

IR

Vibrations