Geometry & MOs

Info

ID:	328942
PubChem CID:	126729416
Reduced:	ClSN3O5H24C28 (1)
Stoich.:	ABC3D5E24F28 (1)
Weight, g/mol:	614.247047
ΔH_f, kcal/mol:	-45.98
Dipole, Da:	4.63
IP(EA), eV:	-8.04(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[3-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]quinoline

Drug info:

PubChemData

Smile

COC1NN2C=C(N=C2S1)C3=CC4=C(O3)C=C(C=C4OCC5=CC(=CC=C5)OCC6=CC=CC=C6Cl)OC

DOS

IR

Vibrations