Geometry & MOs

Info

ID:

429542

PubChem CID:

135169591

Reduced:

FSO2N4C15H15 (1)

Stoich.:

ABC2D4E15F15 (1)

Weight, g/mol:

717.252861

ΔHf, kcal/mol:

-42.87

Dipole, Da:

3.99

IP(EA), eV:

-8.39(-0.49)

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[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene

Drug info:

PubChemData

Smile

CNC1=NC2=C(C=C(C=C2S1)OCC3=C(C(=NC=C3)N)F)OC

DOS

IR

Vibrations