Geometry & MOs

Info

ID:

377461

PubChem CID:

134223514

Reduced:

SO3N4H54C96 (1)

Stoich.:

AB3C4D54E96 (1)

Weight, g/mol:

739.262363

ΔHf, kcal/mol:

355.44

Dipole, Da:

3.08

IP(EA), eV:

 -8.08(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=C(N5C7=CC=CC=C7)C=C8C(=C6)C9=C(O8)C(=CC=C9)C1=CC3=C(C=C1)SC1=C3C=CC3=C1C1=C(N3C3=CC=CC=C3)C=CC(=C1)C1=CC3=C(C=C1)C1=C(N3C3=CC=CC=C3)C=C3C(=C1)C1=CC=CC=C1O3)C1=C2C=CC2=C1OC1=CC=CC=C21

DOS

IR

Vibrations