Geometry & MOs

Info

ID:	282163
PubChem CID:	103917604
Reduced:	NOS2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	315.076299
ΔH_f, kcal/mol:	-9.94
Dipole, Da:	1.19
IP(EA), eV:	-9.04(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-1,1-dioxo-N-(2-prop-2-enylsulfanylethyl)-3,4-dihydro-2H-thiochromen-4-amine

Drug info:

PubChemData

Smile

CCCC(CCO)CNC(C1=CC=CS1)C2=CC=CS2

DOS

IR

Vibrations