Geometry & MOs

Info

ID:

429459

PubChem CID:

135169508

Reduced:

OSF3N11H12C19 (1)

Stoich.:

ABC3D11E12F19 (1)

Weight, g/mol:

717.252861

ΔHf, kcal/mol:

73.02

Dipole, Da:

8.07

IP(EA), eV:

 -9.6(-2.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[4-[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

C=NCC1=C(N=CC(=C1)NC(=O)C2=C(N(N=C2)C3=C4C(=NC=N3)SC=N4)C(F)(F)F)N5N=CC=N5

DOS

IR

Vibrations