Geometry & MOs

Info

ID:

429486

PubChem CID:

135169535

Reduced:

ClSO3N8C22H25 (1)

Stoich.:

ABC3D8E22F25 (1)

Weight, g/mol:

717.252861

ΔHf, kcal/mol:

12.6

Dipole, Da:

6.91

IP(EA), eV:

 -8.23(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene

Drug info:

PubChemData

Smile

CN1C=C(N=N1)NC2=NC=CC(=N2)COC3=C(C4=C(C(=C3)OC)N=C(S4)N[C@H]5CCCC[C@@H]5O)Cl

DOS

IR

Vibrations