Geometry & MOs

Info

ID:

431529

PubChem CID:

135171615

Reduced:

NS2H17C30 (2)

Stoich.:

AB2C17D30 (2)

Weight, g/mol:

998.2967

ΔHf, kcal/mol:

330.28

Dipole, Da:

1.56

IP(EA), eV:

 -8.14(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-dibenzothiophen-2-yl-9-(2,12-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-(9-phenylcarbazol-3-yl)carbazole

Drug info:

PubChemData

Smile

C1C(C=CC2=C1C3=C(S2)C=C4C(=C3)C5=CC=CC=C5S4)N6C7=C(C=C(C=C7)C8=CC9=C(C=C8)N(C1=CC=CC=C19)C1=CC2=C(C=C1)SC1=C2C=C2C3=CC=CC=C3SC2=C1)C1=CC=CC=C16

DOS

IR

Vibrations