Geometry & MOs

Info

ID:

377554

PubChem CID:

134223612

Reduced:

ON2H38C61 (1)

Stoich.:

AB2C38D61 (1)

Weight, g/mol:

680.192235

ΔHf, kcal/mol:

225.87

Dipole, Da:

2.42

IP(EA), eV:

 -8.01(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-phenyl-10-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-9-yl)-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(N4C6=C7C=CC=C8C7=C(C=C6)C9=CC=CC=C98)C=CC(=C5)C1=CC2=C(C=C1)N(C1=C2C=C2C3=CC=CC=C3OC2=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations