Geometry & MOs

Info

ID:	377327
PubChem CID:	134223375
Reduced:	NOH14C24 (2)
Stoich.:	ABC14D24 (2)
Weight, g/mol:	680.192235
ΔH_f, kcal/mol:	162.48
Dipole, Da:	3.83
IP(EA), eV:	-8.06(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-phenyl-9-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-[1]benzofuro[3,2-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=C(N5C7=CC=CC=C7)C=C8C9=CC=CC=C9OC8=C6)C1=C2C=CC2=C1OC1=CC=CC=C21

DOS

IR

Vibrations