Geometry & MOs

Info

ID:

316460

PubChem CID:

126630954

Reduced:

S3N5H45C80 (1)

Stoich.:

A3B5C45D80 (1)

Weight, g/mol:

1123.35224

ΔHf, kcal/mol:

399.88

Dipole, Da:

2.81

IP(EA), eV:

 -8.08(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[3-[4-[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)C5=NC(=NC6=C5C=C(C=C6)C7=CC(=CC=C7)N8C9=C(C1=CC=CC=C18)C1=C(C=C9)SC2=CC=CC=C21)C1=CC=C(C=C1)N1C2=C(C4=CC=CC=C41)C1=C(C=C2)SC2=CC=CC=C21)C=CC1=C3C2=CC=CC=C2S1

DOS

IR

Vibrations