Geometry & MOs

Info

ID:

316975

PubChem CID:

126632178

Reduced:

S3N6H48C85 (1)

Stoich.:

A3B6C48D85 (1)

Weight, g/mol:

1247.31501

ΔHf, kcal/mol:

427.9

Dipole, Da:

2.18

IP(EA), eV:

 -8.35(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[6-(2-dibenzothiophen-2-ylcarbazol-9-yl)naphthalen-2-yl]pyrimidin-2-yl]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC5=C(C=C4)C=C(C=C5)C6=NC(=NC(=N6)N7C8=CC=CC=C8C9=C7C=C(C=C9)C1=CC2=C(C=C1)SC1=CC=CC=C12)N1C2=CC=CC=C2C2=C1C=C(C=C2)C1=CC2=C(C=C1)SC1=CC=CC=C12)C=C(C=C3)C1=CC2=C(C=C1)SC1=CC=CC=C12

DOS

IR

Vibrations