Geometry & MOs

Info

ID:	122316
PubChem CID:	50802103
Reduced:	ClSO2N4C15H17 (1)
Stoich.:	ABC2D4E15F17 (1)
Weight, g/mol:	433.143784
ΔH_f, kcal/mol:	-26.16
Dipole, Da:	5.79
IP(EA), eV:	-8.94(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorophenoxy)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide

Drug info:

PubChemData

Smile

C1CC(OC1)CNC(=O)CSC2=NNC(=N2)C3=CC=CC=C3Cl

DOS

IR

Vibrations