Geometry & MOs

Info

ID:

429472

PubChem CID:

135169521

Reduced:

ClSO3N4C20H23 (1)

Stoich.:

ABC3D4E20F23 (1)

Weight, g/mol:

717.252861

ΔHf, kcal/mol:

-67.99

Dipole, Da:

6.25

IP(EA), eV:

 -8.31(-0.59)

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[10.8.0.02,10.05,9.014,19]icosa-1(20),2(10),3,5(9),6,12,14,16,18-nonaene

Drug info:

PubChemData

Smile

COC1=CC(=C(C2=C1N=C(S2)N[C@H]3CCCC[C@@H]3O)Cl)OCC4=CC(=NC=C4)N

DOS

IR

Vibrations