Geometry & MOs

Info

ID:	123136
PubChem CID:	50834884
Reduced:	OSF2N3C17H19 (1)
Stoich.:	ABC2D3E17F19 (1)
Weight, g/mol:	347.073991
ΔH_f, kcal/mol:	-92.0
Dipole, Da:	6.1
IP(EA), eV:	-8.93(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(4-fluorophenoxy)acetamide

Drug info:

PubChemData

Smile

CCCN1CCC2=C(C1)C(=O)N=C(N2)SCC3=CC(=CC(=C3)F)F

DOS

IR

Vibrations