Geometry & MOs

Info

ID:	173827
PubChem CID:	75688797
Reduced:	O2N6C24H37 (1)
Stoich.:	A2B6C24D37 (1)
Weight, g/mol:	298.078742
ΔH_f, kcal/mol:	-20.42
Dipole, Da:	5.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753471
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-N-morpholin-4-yl-1,1-dioxo-2,3-dihydrothiochromen-4-imine

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CCC1CNC(=O)C2C([NH+]1C)CCN2CC3=NC4=CC=CC=C4N3C

DOS

IR

Vibrations