Geometry & MOs

Info

ID:	84266
PubChem CID:	49865159
Reduced:	FSO3N4H19C22 (1)
Stoich.:	ABC3D4E19F22 (1)
Weight, g/mol:	516.0267
ΔH_f, kcal/mol:	-57.28
Dipole, Da:	6.06
IP(EA), eV:	-8.01(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-9-bromo-2-[5-[(4-fluorophenyl)methyl]-3H-1,3-thiazol-2-ylidene]-7-morpholin-4-ylpyrido[1,2-a]pyrimidine-3,4-dione

Drug info:

PubChemData

Smile

C1COCCN1C2=CN3C(=N/C(=C\4/NC=C(S4)CC5=CC=C(C=C5)F)/C(=O)C3=O)C=C2

DOS

IR

Vibrations