Geometry & MOs

Info

ID:	122330
PubChem CID:	50802856
Reduced:	BrFSO2N5H19C23 (1)
Stoich.:	ABCD2E5F19G23 (1)
Weight, g/mol:	463.147824
ΔH_f, kcal/mol:	-0.72
Dipole, Da:	4.74
IP(EA), eV:	-9.18(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC(=O)N3C(=N2)SC(=N3)C4=CC=C(C=C4)F)C(=O)C5=CC=C(C=C5)Br

DOS

IR

Vibrations