Geometry & MOs

Info

ID:

385005

PubChem CID:

134978132

Reduced:

O3C15H20 (1)

Stoich.:

A3B15C20 (1)

Weight, g/mol:

1584.259346

ΔHf, kcal/mol:

-106.88

Dipole, Da:

1.88

IP(EA), eV:

-8.5(0.34)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

hexasodium;(5,11,17,23,29,35-hexabutyl-38,39,40,41,42-pentasulfonatooxy-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) sulfate

Drug info:

PubChemData

Smile

CC1(OCCO1)CC/C=C\C2=CC=C(C=C2)OC

DOS

IR

Vibrations