Geometry & MOs

Info

ID:

317084

PubChem CID:

126632448

Reduced:

S3N4H58C99 (1)

Stoich.:

A3B4C58D99 (1)

Weight, g/mol:

1351.360564

ΔHf, kcal/mol:

452.88

Dipole, Da:

3.06

IP(EA), eV:

 -8.25(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[3-[4,6-bis[3-(1-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-dibenzothiophen-4-ylcarbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=CC(=C4)C5=C(C6=C(C=CN=C6C=C5)C7=CC(=CC=C7)N8C9=C(C=C(C=C9)C1=CC2=C(C=C1)SC1=CC=CC=C12)C1=CC=CC=C18)C1=CC(=CC=C1)N1C2=C(C=C(C=C2)C2=CC4=C(C=C2)SC2=CC=CC=C24)C2=CC=CC=C21)C=CC(=C3)C1=CC2=C(C=C1)SC1=CC=CC=C12

DOS

IR

Vibrations