Geometry & MOs

Info

ID:

45193

PubChem CID:

10509029

Reduced:

N5O8C39H47 (1)

Stoich.:

A5B8C39D47 (1)

Weight, g/mol:

713.19594

ΔHf, kcal/mol:

-325.25

Dipole, Da:

7.09

IP(EA), eV:

 -8.96(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6,11,16,21-tetraphenyl-26,28-dithia-25,27,29-triazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1,3,5,7,9,11,13,15(27),16,18,20,22(25),23-tridecaene

Drug info:

PubChemData

Smile

COC(=O)C[C@H]1C(=O)N2[C@@H](C3CCC2CC3)C(=O)N1CC(=O)NCCCNC(=O)C4CCN(CC4)C(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57

DOS

IR

Vibrations