Geometry & MOs

Info

ID:	446763
PubChem CID:	135277527
Reduced:	NOH35C55 (1)
Stoich.:	ABC35D55 (1)
Weight, g/mol:	655.233371
ΔH_f, kcal/mol:	211.69
Dipole, Da:	0.75
IP(EA), eV:	-8.05(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC4=C(C=C3)C5=CC=CC=C5C46C7=CC=CC=C7C8=CC=CC=C68)C9=C(C=C1C2=CC=CC=C2OC1=C9)C1=CC=CC=C1

DOS

IR

Vibrations