Geometry & MOs

Info

ID:

446796

PubChem CID:

135277773

Reduced:

NSH31C46 (1)

Stoich.:

ABC31D46 (1)

Weight, g/mol:

747.295971

ΔHf, kcal/mol:

197.97

Dipole, Da:

1.65

IP(EA), eV:

 -8.1(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-[4-(2-phenylphenyl)phenyl]-5a,9a-dihydrodibenzothiophen-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=C(C4=C(C=C3)C5=CC=CC=C5S4)C6=CC7=CC=CC=C7C=C6)C8=CC=CC=C8C9=CC=CC=C9

DOS

IR

Vibrations