Geometry & MOs

Info

ID:	446761
PubChem CID:	135277505
Reduced:	NSH31C46 (1)
Stoich.:	ABC31D46 (1)
Weight, g/mol:	619.233371
ΔH_f, kcal/mol:	196.05
Dipole, Da:	1.61
IP(EA), eV:	-8.05(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=C(C=C6C7=CC=CC=C7SC6=C5)C8=CC=CC9=CC=CC=C98

DOS

IR

Vibrations