Geometry & MOs

Info

ID:	426399
PubChem CID:	135143816
Reduced:	FON2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	488.144216
ΔH_f, kcal/mol:	-0.69
Dipole, Da:	2.65
IP(EA), eV:	-9.02(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine

Drug info:

PubChemData

Smile

C/C=C(/C1=CN=C(C=N1)OCC#CC)\F

DOS

IR

Vibrations