Geometry & MOs

Info

ID:

324664

PubChem CID:

126678096

Reduced:

SN5H27C45 (1)

Stoich.:

AB5C27D45 (1)

Weight, g/mol:

648.220164

ΔHf, kcal/mol:

252.18

Dipole, Da:

2.13

IP(EA), eV:

 -8.08(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-phenyl-24-triphenylen-2-yl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)N3C4=C(C5=C3C=C6C(=C5)C7=CC=CC=C7N6C8=CC=CC=C8)C9=C(C=C4)C1=CC=CC=C1S9)C1=CC=CC=C1

DOS

IR

Vibrations