Geometry & MOs

Info

ID:

392877

PubChem CID:

135018285

Reduced:

NSO3C28H29 (1)

Stoich.:

ABC3D28E29 (1)

Weight, g/mol:

1106.686855

ΔHf, kcal/mol:

-53.77

Dipole, Da:

5.06

IP(EA), eV:

 -8.54(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tri(propan-2-yl)-[2-[13,21,28-tris[2-tri(propan-2-yl)silylethynyl]-4,15,19,30-tetrazaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1,3,5,7,9,11,13,15,17,21,23,25,27-tridecaen-6-yl]ethynyl]silane

Drug info:

PubChemData

Smile

CCC1=C2CN([C@H]([C@@H]2CC3=CC=CC=C31)C4=CC=C(C=C4)OC)S(=O)(=O)C5=CC=C(C=C5)C

DOS

IR

Vibrations