Geometry & MOs

Info

ID:

431456

PubChem CID:

135171536

Reduced:

NSH19C33 (2)

Stoich.:

ABC19D33 (2)

Weight, g/mol:

892.308979

ΔHf, kcal/mol:

288.13

Dipole, Da:

1.87

IP(EA), eV:

 -7.96(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[9-[3-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C=C(C=C3)N4C5=C(C=C(C=C5)C6=CC7=C(C=C6)N(C8=CC=CC=C87)C9=CC=CC(=C9)C1=CC=CC3=C1SC1=C3C=C3C5=CC=CC=C5SC3=C1)C1=CC=CC=C14)C1=CC=CC=C21

DOS

IR

Vibrations