Geometry & MOs

Info

ID:

47489

PubChem CID:

10533299

Reduced:

SiN3O7C45H67 (1)

Stoich.:

AB3C7D45E67 (1)

Weight, g/mol:

726.249172

ΔHf, kcal/mol:

-348.38

Dipole, Da:

6.24

IP(EA), eV:

 -8.76(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24,25-bis(phenylmethoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28(38),29,31,33,35-nonadecaene

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OCC1=NC(=CC=C1)[C@@H](C)OC(=O)C2=NC(=CC=C2)C(=O)O[C@@H](C)C3=CC=CC(=N3)CO[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations