Geometry & MOs

Info

ID:	145164
PubChem CID:	53473364
Reduced:	SF3O4C13H15 (4)
Stoich.:	AB3C4D13E15 (4)
Weight, g/mol:	346.146999
ΔH_f, kcal/mol:	-1222.47
Dipole, Da:	1.54
IP(EA), eV:	-8.71(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(N-phenylanilino)phenyl]benzonitrile

Drug info:

Smile

CC(C)CC1C2=CC(=C(C=C2OC)OS(=O)(=O)C(F)(F)F)C(C3=CC(=C(C=C3OC)OS(=O)(=O)C(F)(F)F)C(C4=CC(=C(C=C4OC)OS(=O)(=O)C(F)(F)F)C(C5=CC1=C(C=C5OC)OS(=O)(=O)C(F)(F)F)CC(C)C)CC(C)C)CC(C)C

DOS

IR

Vibrations