Geometry & MOs

Info

ID:

51155

PubChem CID:

12013786

Reduced:

SO3N6H20C25 (1)

Stoich.:

AB3C6D20E25 (1)

Weight, g/mol:

850.538369

ΔHf, kcal/mol:

61.08

Dipole, Da:

1.09

IP(EA), eV:

 -8.94(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

43,44-bis(3-ethylhexoxy)-3,6,9,12,15,18-hexaoxahexacyclo[18.15.7.126,30.137,41.02,32.019,24]tetratetraconta-1(35),2(32),19(24),20,22,26,28,30(44),33,37(43),38,40-dodecaene

Drug info:

PubChemData

Smile

C1CC2=C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)N)C5=NN=C(O5)NC6=CC=CC=C6

DOS

IR

Vibrations