Geometry & MOs

Info

ID:	446777
PubChem CID:	135277611
Reduced:	NSH33C50 (1)
Stoich.:	ABC33D50 (1)
Weight, g/mol:	653.217721
ΔH_f, kcal/mol:	210.48
Dipole, Da:	0.88
IP(EA), eV:	-8.07(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-N-(4-phenylphenyl)-N-triphenylen-2-yldibenzothiophen-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC5=CC=CC=C5C6=CC=CC=C64)C7=C(C=C8C9=CC=CC=C9SC8=C7)C1=CC=CC=C1

DOS

IR

Vibrations