Geometry & MOs

Info

ID:	84265
PubChem CID:	49865158
Reduced:	FS2N5O5H24C25 (1)
Stoich.:	AB2C5D5E24F25 (1)
Weight, g/mol:	438.11619
ΔH_f, kcal/mol:	-137.06
Dipole, Da:	11.36
IP(EA), eV:	-7.66(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-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

C1CN(S(=O)(=O)C1)C2=CC(=CN3C2=N/C(=C\4/NC=C(S4)CC5=CC=C(C=C5)F)/C(=O)C3=O)N6CCOCC6

DOS

IR

Vibrations