Geometry & MOs

Info

ID:

446301

PubChem CID:

135273889

Reduced:

ClN5O5C23H26 (1)

Stoich.:

AB5C5D23E26 (1)

Weight, g/mol:

554.156518

ΔHf, kcal/mol:

-125.83

Dipole, Da:

1.37

IP(EA), eV:

 -8.99(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-thia-5-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2(14),3,6,8,10,12,16,18,20(24),21-undecaene

Drug info:

PubChemData

Smile

COC1=NC(=CC(=N1)N2CC3CC2CC3C(=O)O)NC4=CC(=C(C=C4C=N)Cl)O[C@@H]5CCOC5

DOS

IR

Vibrations