Geometry & MOs

Info

ID:

442180

PubChem CID:

135250301

Reduced:

SN3H26C30 (2)

Stoich.:

AB3C26D30 (2)

Weight, g/mol:

1038.509744

ΔHf, kcal/mol:

217.29

Dipole, Da:

0.82

IP(EA), eV:

 -7.98(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-phenyl-3-[9-phenyl-6-[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridin-2-yl]carbazol-3-yl]-6-[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridin-2-yl]carbazole

Drug info:

PubChemData

Smile

CC1(C(SC(=N1)C2=CC=CC(=N2)C3=CC4=C(C=C3)N(C5=C4C=C(C=C5)C6=CC7=C(C=C6)N(C8=C7C=C(C=C8)C9=NC(=CC=C9)C1=NC(C(S1)(C)C)(C)C)C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C

DOS

IR

Vibrations