Geometry & MOs

Info

ID:

316938

PubChem CID:

126632080

Reduced:

S3N5H43C76 (1)

Stoich.:

A3B5C43D76 (1)

Weight, g/mol:

1297.33066

ΔHf, kcal/mol:

376.03

Dipole, Da:

2.83

IP(EA), eV:

 -8.38(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-dibenzothiophen-3-yl-9-[2-(3-dibenzothiophen-3-ylcarbazol-9-yl)-4-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)naphthalen-1-yl]quinazolin-6-yl]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC(=NC(=N4)N5C6=C(C=C(C=C6)C7=CC8=C(C=C7)SC9=CC=CC=C98)C1=CC=CC=C15)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