Geometry & MOs

Info

ID:	146738
PubChem CID:	53740951
Reduced:	NOSF3H14C18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	287.142248
ΔH_f, kcal/mol:	-144.54
Dipole, Da:	7.06
IP(EA), eV:	-8.87(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-4-(2-phenylethynyldiazenyl)pentanenitrile

Drug info:

PubChemData

Smile

C1C(C(=O)C(=C1N)C2=CC(=CC=C2)SC(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations