Geometry & MOs

Info

ID:	327803
PubChem CID:	126691087
Reduced:	F3N3O3H20C21 (1)
Stoich.:	A3B3C3D20E21 (1)
Weight, g/mol:	403.139471
ΔH_f, kcal/mol:	-261.57
Dipole, Da:	6.39
IP(EA), eV:	-9.4(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-dibenzothiophen-2-ylphenyl)-3,4-dihydronaphthalen-1-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C(=O)NC3=CC=CC=C23)NC(=O)C(CCC(F)(F)F)CC(=O)N

DOS

IR

Vibrations