Geometry & MOs

Info

ID:	444605
PubChem CID:	135263012
Reduced:	ClSN3O4C11H16 (1)
Stoich.:	ABC3D4E11F16 (1)
Weight, g/mol:	285.078327
ΔH_f, kcal/mol:	-176.19
Dipole, Da:	4.38
IP(EA), eV:	-9.73(-1.06)
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

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1CC(=O)O)N2CCS(=O)(=O)CC2.Cl

DOS

IR

Vibrations