Geometry & MOs

Info

ID:

386834

PubChem CID:

134983082

Reduced:

O4C41H58 (1)

Stoich.:

A4B41C58 (1)

Weight, g/mol:

2510.295605

ΔHf, kcal/mol:

-198.53

Dipole, Da:

4.2

IP(EA), eV:

 -8.04(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

hexasodium;3-[[5,11,17,23,29,35-hexadodecyl-38,39,40,41,42-pentakis(3-sulfonatopropoxy)-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxy]propane-1-sulfonate

Drug info:

PubChemData

Smile

CCCCCCCCCCCOC1=CC2=C(C=C1)C3=C(C=C(C=C3)OCCCCCCCCCCC)C4=CC(=C(C=C42)O)OC

DOS

IR

Vibrations