Geometry & MOs

Info

ID:	83504
PubChem CID:	49857670
Reduced:	F2N3O3C12H15 (1)
Stoich.:	A2B3C3D12E15 (1)
Weight, g/mol:	582.24131
ΔH_f, kcal/mol:	-203.78
Dipole, Da:	2.19
IP(EA), eV:	-10.29(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethylpiperazin-1-yl)-N-[4-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)dibenzothiophen-1-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C(=O)NCCCC(C(F)F)(C(=O)O)N

DOS

IR

Vibrations