Geometry & MOs

Info

ID:	371535
PubChem CID:	127346823
Reduced:	O2F3N6H15C17 (1)
Stoich.:	A2B3C6D15E17 (1)
Weight, g/mol:	261.085721
ΔH_f, kcal/mol:	-134.9
Dipole, Da:	6.32
IP(EA), eV:	-9.16(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1-oxo-1,4-thiazinan-4-yl)-(thian-4-yl)methanone

Drug info:

PubChemData

Smile

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CCN4C(=NN=C4C(F)(F)F)C3

DOS

IR

Vibrations