Geometry & MOs

Info

ID:	19500
PubChem CID:	565790
Reduced:	FSN4H7C9 (1)
Stoich.:	ABC4D7E9 (1)
Weight, g/mol:	222.037546
ΔH_f, kcal/mol:	64.34
Dipole, Da:	5.33
IP(EA), eV:	-9.12(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-[(3-fluorophenyl)diazenyl]-3-sulfanylprop-2-enenitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)N=NC(=C(N)S)C#N

DOS

IR

Vibrations