Geometry & MOs

Info

ID:

431526

PubChem CID:

135171607

Reduced:

SN2O2H30C54 (1)

Stoich.:

AB2C2D30E54 (1)

Weight, g/mol:

740.246378

ΔHf, kcal/mol:

260.94

Dipole, Da:

3.22

IP(EA), eV:

 -8.07(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[9-[4-(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)phenyl]carbazol-2-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=CC8=C(C=C7)OC9=C1C(=C3C4=CC=CC=C4SC3=C89)C3=CC=CC=C3O1)C1=CC=CC=C12

DOS

IR

Vibrations