Geometry & MOs

Info

ID:	318885
PubChem CID:	126653618
Reduced:	ON2H15C22 (2)
Stoich.:	AB2C15D22 (2)
Weight, g/mol:	676.200691
ΔH_f, kcal/mol:	177.39
Dipole, Da:	1.55
IP(EA), eV:	-8.05(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diphenyl-4-[2-[4-(N-phenylanilino)phenyl]thieno[2,3-f][1]benzothiol-6-yl]aniline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations