Geometry & MOs

Info

ID:

431585

PubChem CID:

135171673

Reduced:

OSN3H31C55 (1)

Stoich.:

ABC3D31E55 (1)

Weight, g/mol:

846.2341

ΔHf, kcal/mol:

248.12

Dipole, Da:

6.06

IP(EA), eV:

 -8.22(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[8-[9-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)carbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C#N)C4=C2C=CC(=C4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CC=CC=C8C9=CC1=C(C2=CC=CC=C2O1)C1=C9SC2=CC=CC=C21

DOS

IR

Vibrations