Geometry & MOs

Info

ID:	208304
PubChem CID:	80516739
Reduced:	O2N4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	313.109627
ΔH_f, kcal/mol:	-40.05
Dipole, Da:	2.95
IP(EA), eV:	-8.92(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(6-ethyl-2-methylpyrimidin-4-yl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCN1CCC(CC1)N(C)C2=C(C=CN=N2)C(=O)O

DOS

IR

Vibrations