Geometry & MOs

Info

ID:

431528

PubChem CID:

135171609

Reduced:

NOH14C24 (2)

Stoich.:

ABC14D24 (2)

Weight, g/mol:

910.160484

ΔHf, kcal/mol:

164.14

Dipole, Da:

1.96

IP(EA), eV:

 -7.98(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[9-(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-6-yl)carbazol-3-yl]-9-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),7,12,15,17,19-octaen-6-yl)carbazole

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=CC8=C7OC9=C8C=C1C3=CC=CC=C3OC1=C9)C1=CC=CC=C12

DOS

IR

Vibrations