Geometry & MOs

Info

ID:

431582

PubChem CID:

135171670

Reduced:

NSH14C24 (2)

Stoich.:

ABC14D24 (2)

Weight, g/mol:

696.169391

ΔHf, kcal/mol:

223.84

Dipole, Da:

2.03

IP(EA), eV:

 -8.09(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[9-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-12-yl)carbazol-3-yl]-9-phenylcarbazole

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=C8C9=CC=CC=C9SC8=CC1=C7C3=CC=CC=C3S1)C1=CC=CC=C12

DOS

IR

Vibrations