Geometry & MOs

Info

ID:	20925
PubChem CID:	586312
Reduced:	FNSO2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	291.072928
ΔH_f, kcal/mol:	-84.13
Dipole, Da:	1.91
IP(EA), eV:	-8.6(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]aniline

Drug info:

PubChemData

Smile

C1C2=C(C(=CC(=C2)F)CSC3=CC=CC=C3N)OCO1

DOS

IR

Vibrations