Geometry & MOs

Info

ID:	446773
PubChem CID:	135277596
Reduced:	NSH37C56 (1)
Stoich.:	ABC37D56 (1)
Weight, g/mol:	579.202071
ΔH_f, kcal/mol:	234.44
Dipole, Da:	1.53
IP(EA), eV:	-8.1(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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=CC=C(C=C3)C4=C(C5=C(C=C4)C6=CC=CC=C6S5)C7=CC8=CC=CC=C8C=C7)C9=CC=C(C=C9)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations