Geometry & MOs

Info

ID:	122337
PubChem CID:	50803112
Reduced:	ClFSO3N5H21C24 (1)
Stoich.:	ABCD3E5F21G24 (1)
Weight, g/mol:	525.123753
ΔH_f, kcal/mol:	-48.98
Dipole, Da:	4.24
IP(EA), eV:	-9.22(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-7-[[4-[2-(4-methoxyphenoxy)acetyl]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)Cl)C(=O)COC5=CC=CC=C5F

DOS

IR

Vibrations