Geometry & MOs

Info

ID:

316933

PubChem CID:

126632067

Reduced:

S3N5H49C86 (1)

Stoich.:

A3B5C49D86 (1)

Weight, g/mol:

1297.33066

ΔHf, kcal/mol:

418.44

Dipole, Da:

2.92

IP(EA), eV:

 -8.3(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=C2N3C4=C(C=C(C=C4)C5=CC6=C(C=C5)SC7=CC=CC=C76)C8=CC=CC=C83)C9=CC(=NC(=N9)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)SC2=CC=CC=C23)C2=CC=CC=C21)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)SC2=CC=CC=C23)C2=CC=CC=C21

DOS

IR

Vibrations