Geometry & MOs

Info

ID:

436250

PubChem CID:

135195809

Reduced:

NSH35C53 (1)

Stoich.:

ABC35D53 (1)

Weight, g/mol:

717.249021

ΔHf, kcal/mol:

230.17

Dipole, Da:

1.09

IP(EA), eV:

 -7.97(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-5-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4(C5=CC=CC=C5C6=CC=CC=C64)C7=CC=CC=C7)C8=CC9=C(C1=CC=CC=C18)SC1=CC=CC=C19

DOS

IR

Vibrations