Geometry & MOs

Info

ID:

429687

PubChem CID:

135169738

Reduced:

ClO2F3N8H18C23 (1)

Stoich.:

AB2C3D8E18F23 (1)

Weight, g/mol:

717.252861

ΔHf, kcal/mol:

-88.47

Dipole, Da:

6.39

IP(EA), eV:

 -9.07(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-phenyl-11-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene

Drug info:

PubChemData

Smile

CC1=NN(N=C1)C2=C(C=C(C(=N2)C)NC(=O)/C(=C/N)/C(=NC3=CC=CC4=C3C=CNC4=O)C(F)(F)F)Cl

DOS

IR

Vibrations