Geometry & MOs

Info

ID:

377388

PubChem CID:

134223438

Reduced:

OSN2H36C57 (1)

Stoich.:

ABC2D36E57 (1)

Weight, g/mol:

796.254835

ΔHf, kcal/mol:

200.13

Dipole, Da:

3.66

IP(EA), eV:

 -7.98(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-dibenzothiophen-4-yl-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(N4C6=CC=CC=C6)C=CC(=C5)C7=CC8=C(C=C7)N(C9=C8C=C1C2=CC=CC=C2OC1=C9)C1=CC2=C(C=C1)SC1=CC=CC=C12)C

DOS

IR

Vibrations