Geometry & MOs

Info

ID:

436252

PubChem CID:

135195811

Reduced:

NOH35C53 (1)

Stoich.:

ABC35D53 (1)

Weight, g/mol:

717.249021

ΔHf, kcal/mol:

205.89

Dipole, Da:

1.91

IP(EA), eV:

 -8.06(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

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=CC=CC9=C8C1=C(C=C9)OC2=CC=CC=C21

DOS

IR

Vibrations