Geometry & MOs

Info

ID:	209269
PubChem CID:	80645635
Reduced:	FSN2O3C13H15 (1)
Stoich.:	ABC2D3E13F15 (1)
Weight, g/mol:	306.050813
ΔH_f, kcal/mol:	-116.09
Dipole, Da:	5.65
IP(EA), eV:	-8.92(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-3-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)S(=O)(=O)N(C)CC2=COC=C2)N

DOS

IR

Vibrations