Geometry & MOs

Info

ID:

431450

PubChem CID:

135171530

Reduced:

NOH15C26 (2)

Stoich.:

ABC15D26 (2)

Weight, g/mol:

746.185041

ΔHf, kcal/mol:

244.25

Dipole, Da:

3.23

IP(EA), eV:

 -8.13(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-(10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-5-(9-phenylcarbazol-3-yl)benzo[a]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)N3C4=C(C=C(C=C4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CC9=C(C=C8)OC1=C9C=C2C(=C1)C1=CC=CC=C1O2)C1=CC=CC=C13

DOS

IR

Vibrations