Geometry & MOs

Info

ID:

388464

PubChem CID:

134989236

Reduced:

N8O9C118H166 (1)

Stoich.:

A8B9C118D166 (1)

Weight, g/mol:

1980.443508

ΔHf, kcal/mol:

-72.04

Dipole, Da:

6.46

IP(EA), eV:

 -7.7(-2.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8,8,20,20,41,41-hexadodecyl-30,31-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-7,9,19,21,40,42-hexaoxa-2,14,26,35,46,47,48,49-octazadodecacyclo[34.9.1.13,13.115,25.127,34.04,12.06,10.016,24.018,22.028,33.037,45.039,43]nonatetraconta-1(46),2,4,6(10),11,13(49),14,16,18(22),23,25,27,29,31,33,35,37,39(43),44-nonadecaene

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCC1=CC2=C(C=C1CCCCCCCCCCCCCCCC)C3=NC2=NC4=C5C=C(C=CC5=C(N4)N=C6C7=C(C=C(C=C7)C8=CC(=C(C(=C8)C(C)(C)C)OCOCCOC)C(C)(C)C)C(=NC9=NC(=N3)C1=C9C=C(C=C1)C1=CC(=C(C(=C1)C(C)(C)C)OCOCCOC)C(C)(C)C)N6)C1=CC(=C(C(=C1)C(C)(C)C)OCOCCOC)C(C)(C)C

DOS

IR

Vibrations