Geometry & MOs

Info

ID:	122328
PubChem CID:	50802854
Reduced:	FSO3N5H24C25 (1)
Stoich.:	ABC3D5E24F25 (1)
Weight, g/mol:	449.132174
ΔH_f, kcal/mol:	-52.72
Dipole, Da:	6.53
IP(EA), eV:	-8.94(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(4-benzoylpiperazin-1-yl)methyl]-2-(4-fluorophenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC(=O)N4C(=N3)SC(=N4)C5=CC(=CC=C5)F

DOS

IR

Vibrations