Geometry & MOs

Info

ID:

317178

PubChem CID:

126632744

Reduced:

SN7H61C97 (1)

Stoich.:

AB7C61D97 (1)

Weight, g/mol:

1347.394641

ΔHf, kcal/mol:

450.15

Dipole, Da:

3.3

IP(EA), eV:

 -8.04(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-dibenzothiophen-3-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C4=C(C=C3)N(C5=CC=CC=C54)C6=CC(=NC(=N6)N7C8=CC=CC=C8C9=C7C=C(C=C9)C1=CC2=C(C=C1)C1=CC=CC=C1S2)N1C2=C(C=CC(=C2)C2=CC3=C(C=C2)N(C2=CC=CC=C23)C2=CC=CC=C2)C2=C1C=C(C=C2)C1=CC2=C(C=C1)N(C1=CC=CC=C12)C1=CC=CC=C1)C

DOS

IR

Vibrations