Geometry & MOs

Info

ID:	122331
PubChem CID:	50802857
Reduced:	FSO2N5H22C24 (1)
Stoich.:	ABC2D5E22F24 (1)
Weight, g/mol:	515.00853
ΔH_f, kcal/mol:	-11.09
Dipole, Da:	4.7
IP(EA), eV:	-9.1(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[4-(3-bromobenzoyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-[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)CC5=CC=CC=C5

DOS

IR

Vibrations