Geometry & MOs

Info

ID:	122334
PubChem CID:	50802889
Reduced:	FSO3N5H22C24 (1)
Stoich.:	ABC3D5E22F24 (1)
Weight, g/mol:	489.183461
ΔH_f, kcal/mol:	-44.51
Dipole, Da:	4.72
IP(EA), eV:	-9.05(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN3C(=O)C=C(N=C3S2)CN4CCN(CC4)C(=O)C5=CC(=CC=C5)F

DOS

IR

Vibrations