Geometry & MOs

Info

ID:	377450
PubChem CID:	134223502
Reduced:	NOH14C24 (2)
Stoich.:	ABC14D24 (2)
Weight, g/mol:	680.192235
ΔH_f, kcal/mol:	163.79
Dipole, Da:	3.29
IP(EA), eV:	-8.12(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-phenyl-8-(12-phenyl-[1]benzothiolo[2,3-a]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)C8=C(C=C6)C9=CC=CC=C9O8)C1=C2C=C2C3=CC=CC=C3OC2=C1

DOS

IR

Vibrations