Geometry & MOs

Info

ID:

309927

PubChem CID:

126567827

Reduced:

FN6O7H25C27 (1)

Stoich.:

AB6C7D25E27 (1)

Weight, g/mol:

745.247775

ΔHf, kcal/mol:

-177.17

Dipole, Da:

14.51

IP(EA), eV:

 -9.58(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-(4,6-diphenyl-1,3,5-triazin-2-yl)-25-(4-phenylphenyl)-2,16-dioxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=NC(=O)C2=NNN(C2=N1)[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)C4=CC=CC=C4)F)OC(=O)C5=CC=CC=C5

DOS

IR

Vibrations