Geometry & MOs

Info

ID:	444604
PubChem CID:	135263011
Reduced:	FNSO4C12H14 (1)
Stoich.:	ABCD4E12F14 (1)
Weight, g/mol:	321.055005
ΔH_f, kcal/mol:	-193.77
Dipole, Da:	6.52
IP(EA), eV:	-8.75(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpyrimidin-5-yl]acetic acid;hydrochloride

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCN1C2=CC(=C(C=C2)F)CC(=O)O

DOS

IR

Vibrations