Geometry & MOs

Info

ID:	444643
PubChem CID:	135263118
Reduced:	BrNSO3C17H18 (1)
Stoich.:	ABCD3E17F18 (1)
Weight, g/mol:	285.078327
ΔH_f, kcal/mol:	-68.69
Dipole, Da:	3.76
IP(EA), eV:	-9.4(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-2-yl]acetate

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCN1C2=C(C=C(C=C2)Br)OCC3=CC=CC=C3

DOS

IR

Vibrations