Geometry & MOs

Info

ID:

377556

PubChem CID:

134223614

Reduced:

NOH16C29 (2)

Stoich.:

ABC16D29 (2)

Weight, g/mol:

706.24427

ΔHf, kcal/mol:

211.52

Dipole, Da:

1.75

IP(EA), eV:

 -8.12(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-3-yl)-7-phenyl-[1]benzothiolo[2,3-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=C7C8=CC=CC=C8OC7=C6)C9=C1C=CC=C3C1=C(C=C9)C1=CC=CC=C13)C1=C2C=C2C(=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations