Geometry & MOs

Info

ID:

125257

PubChem CID:

50917361

Reduced:

SF3O3N4H31C46 (1)

Stoich.:

AB3C3D4E31F46 (1)

Weight, g/mol:

627.254872

ΔHf, kcal/mol:

95.77

Dipole, Da:

22.86

IP(EA), eV:

 -8.76(-3.34)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

24-methyl-4,9,14,19-tetraphenyl-2,21,23-triaza-24-azoniahexacyclo[13.5.1.13,20.15,8.110,13.018,21]tetracosa-1(20),3(22),4,6,8(24),9,11,13(23),14,16,18-undecaene

Drug info:

PubChemData

Smile

C[N+]1=C2C=CC1=C(C3=CC4=C(N3)N5C(=C(C6=NC(=C2C7=CC=CC=C7)C=C6)C8=CC=CC=C8)C=CC5=C4C9=CC=CC=C9)C1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations