Geometry & MOs

Info

ID:	377589
PubChem CID:	134223648
Reduced:	NOH14C24 (2)
Stoich.:	ABC14D24 (2)
Weight, g/mol:	680.192235
ΔH_f, kcal/mol:	164.14
Dipole, Da:	1.91
IP(EA), eV:	-7.99(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-phenyl-8-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-3-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)N(C6=C5C=CC7=C6OC8=CC=CC=C78)C9=CC=CC=C9)C1=C2C=C2C3=CC=CC=C3OC2=C1

DOS

IR

Vibrations