Geometry & MOs

Info

ID:

316372

PubChem CID:

126630829

Reduced:

SN2H14C25 (3)

Stoich.:

AB2C14D25 (3)

Weight, g/mol:

1123.35224

ΔHf, kcal/mol:

387.83

Dipole, Da:

2.13

IP(EA), eV:

 -8.11(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[4-[4-[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-2-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]quinazolin-6-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(=NC(=N5)C6=CC(=CC=C6)N7C8=CC=CC=C8C9=C7C=C1C2=CC=CC=C2SC1=C9)C1=CC=C(C=C1)N1C2=CC=CC=C2C2=C1C=C1C4=CC=CC=C4SC1=C2)C=C1C2=CC=CC=C2SC1=C3

DOS

IR

Vibrations