Geometry & MOs

Info

ID:	228237
PubChem CID:	87563718
Reduced:	ClSO2N3C15H16 (1)
Stoich.:	ABC2D3E15F16 (1)
Weight, g/mol:	393.060626
ΔH_f, kcal/mol:	-47.0
Dipole, Da:	5.54
IP(EA), eV:	-8.1(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3R)-3-methylmorpholin-4-yl]-4-oxopyrido[1,2-a]pyrimidin-9-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N.Cl

DOS

IR

Vibrations