Geometry & MOs

Info

ID:

316949

PubChem CID:

126632129

Reduced:

S3N5H55C94 (1)

Stoich.:

A3B5C55D94 (1)

Weight, g/mol:

1400.380965

ΔHf, kcal/mol:

442.34

Dipole, Da:

2.78

IP(EA), eV:

 -8.32(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-dibenzothiophen-3-yl-9-[4-[2-[3-(2-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-4-[4-(2-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]quinazolin-6-yl]phenyl]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)C5=NC(=CC(=N5)C6=CC(=CC=C6)N7C8=CC=CC=C8C9=C7C=C(C=C9)C1=CC2=C(C=C1)C1=CC=CC=C1S2)C1=CC(=CC=C1)N1C2=CC=CC=C2C2=C1C=C(C=C2)C1=CC2=C(C=C1)C1=CC=CC=C1S2)C=C(C=C3)C1=CC2=C(C=C1)C1=CC=CC=C1S2

DOS

IR

Vibrations