Geometry & MOs

Info

ID:

446784

PubChem CID:

135277676

Reduced:

NOSH37C54 (1)

Stoich.:

ABCD37E54 (1)

Weight, g/mol:

745.280321

ΔHf, kcal/mol:

257.27

Dipole, Da:

2.41

IP(EA), eV:

 -7.99(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-2-yl)-4-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC5=C(C=C4)SC6=CC=CC=C65)C7=CC=C(C=C7)C8=C(C9=C(C=C8)C1C=CC=CC1O9)C1=CC=CC=C1

DOS

IR

Vibrations