Geometry & MOs

Info

ID:

377695

PubChem CID:

134223759

Reduced:

NOH14C24 (2)

Stoich.:

ABC14D24 (2)

Weight, g/mol:

680.192235

ΔHf, kcal/mol:

162.36

Dipole, Da:

2.22

IP(EA), eV:

 -8.08(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-phenyl-3-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-9-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)C6=C(N5C7=CC=CC=C7)C=C8C(=C6)C9=CC=CC=C9O8)C1=C2C2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations