Geometry & MOs

Info

ID:

446798

PubChem CID:

135277780

Reduced:

NSH43C61 (1)

Stoich.:

ABC43D61 (1)

Weight, g/mol:

745.280321

ΔHf, kcal/mol:

230.66

Dipole, Da:

0.8

IP(EA), eV:

 -7.92(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,9-dimethyl-N-[4-(4-naphthalen-2-yldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=C(C6=C(C=C5)C7=CC=CC=C7S6)C8=CC9=CC=CC=C9C=C8)C1=CC=C(C=C1)C1=CC=CC=C1C1=CC=CC=C1)C

DOS

IR

Vibrations