Geometry & MOs

Info

ID:	142544
PubChem CID:	53053857
Reduced:	SO3N5C14H19 (1)
Stoich.:	AB3C5D14E19 (1)
Weight, g/mol:	406.17871
ΔH_f, kcal/mol:	-50.94
Dipole, Da:	9.39
IP(EA), eV:	-9.27(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-morpholin-4-yl-7-oxo-N-(3-piperidin-1-ylpropyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=CC(=O)N=C2N1N=C(S2)N3CCOCC3

DOS

IR

Vibrations