Geometry & MOs

Info

ID:	165271
PubChem CID:	74524371
Reduced:	NSO4H6C8 (2)
Stoich.:	ABC4D6E8 (2)
Weight, g/mol:	489.196037
ΔH_f, kcal/mol:	-131.14
Dipole, Da:	13.44
IP(EA), eV:	-8.33(-4.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-[[2-(4-tert-butylphenoxy)-4-oxo-5H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

COC(=O)C1C(C2=C(N=C(S2)[O-])SC1C(=O)OC)C3=C(C=CC(=C3)[N+](=O)[O-])[O-]

DOS

IR

Vibrations