Geometry & MOs

Info

ID:

429685

PubChem CID:

135169736

Reduced:

ClO2F3N4H16C21 (1)

Stoich.:

AB2C3D4E16F21 (1)

Weight, g/mol:

717.252861

ΔHf, kcal/mol:

-139.91

Dipole, Da:

7.23

IP(EA), eV:

 -8.54(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.014,19]icosa-1(20),2(10),3,5(9),6,12,14,16,18-nonaene

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)/C(=C/N)/C(=NC2=CC=CC3=C2C=NC=C3)C(F)(F)F)Cl

DOS

IR

Vibrations