Geometry & MOs

Info

ID:

377665

PubChem CID:

134223729

Reduced:

ON2H16C28 (2)

Stoich.:

AB2C16D28 (2)

Weight, g/mol:

850.222489

ΔHf, kcal/mol:

224.2

Dipole, Da:

2.43

IP(EA), eV:

 -8.2(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(4,6-diphenylpyrimidin-2-yl)-10-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)N4C5=C(C=C(C=C5)C6=CC7=C(C=C6)OC8=C7C=C9C1=CC=CC=C1N(C9=C8)C1=CC=CC=C1)C1=C4C=C2C(=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations