Geometry & MOs

Info

ID:

431455

PubChem CID:

135171535

Reduced:

NOH16C27 (2)

Stoich.:

ABC16D27 (2)

Weight, g/mol:

922.247642

ΔHf, kcal/mol:

184.68

Dipole, Da:

1.85

IP(EA), eV:

 -8.05(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[9-[3-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=C(C=C7)C8=CC9=C(C=C8)OC1=C9C=C3C(=C1)C1=CC=CC=C1O3)C1=CC=CC=C12

DOS

IR

Vibrations