Geometry & MOs

Info

ID:

377367

PubChem CID:

134223416

Reduced:

ON2H19C32 (2)

Stoich.:

AB2C19D32 (2)

Weight, g/mol:

706.24427

ΔHf, kcal/mol:

250.88

Dipole, Da:

2.88

IP(EA), eV:

 -8.19(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)N5C6=CC=CC=C6C7=CC8=C(C=C75)OC9=C8C=C(C=C9)C1=CC2=C(C=C1)N(C1=C2C=C2C3=CC=CC=C3OC2=C1)C1=CC=CC=C1

DOS

IR

Vibrations