Geometry & MOs

Info

ID:	310437
PubChem CID:	126580325
Reduced:	ON5H23C40 (1)
Stoich.:	AB5C23D40 (1)
Weight, g/mol:	629.192569
ΔH_f, kcal/mol:	219.08
Dipole, Da:	5.36
IP(EA), eV:	-8.3(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC(=C3)C#N)C4=CC=C(C=C4)N5C6=CC=CC=C6C7=C5C=C8C9=CC=CC=C9OC8=C7

DOS

IR

Vibrations