Geometry & MOs

Info

ID:

318876

PubChem CID:

126653607

Reduced:

NH20C29 (2)

Stoich.:

AB20C29 (2)

Weight, g/mol:

678.191189

ΔHf, kcal/mol:

255.12

Dipole, Da:

0.2

IP(EA), eV:

 -7.64(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-diphenyl-6-[2-[5-(N-phenylanilino)pyridin-2-yl]thieno[2,3-f][1]benzothiol-6-yl]pyridin-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C4=CC5=C(C=C4N3C6=CC=CC=C6)C(=C(N5C7=CC=CC=C7)C8=CC=C(C=C8)C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations