Geometry & MOs

Info

ID:	352758
PubChem CID:	127283847
Reduced:	SO2N5C16H17 (1)
Stoich.:	AB2C5D16E17 (1)
Weight, g/mol:	294.060903
ΔH_f, kcal/mol:	54.04
Dipole, Da:	6.71
IP(EA), eV:	-8.36(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1-oxide

Drug info:

PubChemData

Smile

C1CS(=O)CCN1CC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

DOS

IR

Vibrations