Geometry & MOs

Info

ID:	377440
PubChem CID:	134223492
Reduced:	NOH14C24 (2)
Stoich.:	ABC14D24 (2)
Weight, g/mol:	680.192235
ΔH_f, kcal/mol:	167.14
Dipole, Da:	0.51
IP(EA), eV:	-7.97(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-phenyl-3-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-3-yl)-[1]benzofuro[2,3-a]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=C2C2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations