Geometry & MOs

Info

ID:

442499

PubChem CID:

135252488

Reduced:

ON3H22C34 (2)

Stoich.:

AB3C22D34 (2)

Weight, g/mol:

965.355218

ΔHf, kcal/mol:

288.8

Dipole, Da:

2.44

IP(EA), eV:

 -7.9(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-[4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)phenyl]phenyl]carbazol-3-yl]aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=CC=C(C=C6)C7=NC8=CC9=C(C=C8O7)OC(=N9)C1=CC=C(C=C1)N1C2=C(C=C(C=C2)N(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C21

DOS

IR

Vibrations