Geometry & MOs

Info

ID:

316367

PubChem CID:

126630816

Reduced:

S3N5H43C76 (1)

Stoich.:

A3B5C43D76 (1)

Weight, g/mol:

1171.28371

ΔHf, kcal/mol:

373.71

Dipole, Da:

2.43

IP(EA), eV:

 -8.23(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[4-[2,4-bis[4-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]quinazolin-6-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC4=C(C=C3N2C5=CC=C(C=C5)C6=CC(=NC(=N6)C7=CC=C(C=C7)N8C9=CC=CC=C9C1=CC2=C(C=C18)SC1=CC=CC=C12)C1=CC(=CC=C1)N1C2=CC=CC=C2C2=CC3=C(C=C21)SC1=CC=CC=C13)SC1=CC=CC=C14

DOS

IR

Vibrations