Geometry & MOs

Info

ID:

125256

PubChem CID:

50917281

Reduced:

PN2O4C28H45 (1)

Stoich.:

AB2C4D28E45 (1)

Weight, g/mol:

776.206897

ΔHf, kcal/mol:

-286.47

Dipole, Da:

3.8

IP(EA), eV:

 -8.47(0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

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;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CCOP(=O)(C(C(C)(C)C)NC1=CC=C(C=C1)CNC(=O)CC23CC4CC(C2)CC(C4)C3)OCC

DOS

IR

Vibrations