Geometry & MOs

Info

ID:

318879

PubChem CID:

126653611

Reduced:

NOH22C33 (2)

Stoich.:

ABC22D33 (2)

Weight, g/mol:

928.294592

ΔHf, kcal/mol:

232.08

Dipole, Da:

0.75

IP(EA), eV:

 -7.89(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-naphthalen-1-yl-N-[4-[2-[4-(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]thieno[2,3-f][1]benzothiol-6-yl]phenyl]-N-phenylaniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC5=CC6=C(C=C(O6)C7=CC=C(C=C7)N(C8=CC=C(C=C8)C9=CC=CC=C9)C1=CC=CC2=CC=CC=C21)C=C5O4)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations