Geometry & MOs

Info

ID:	122332
PubChem CID:	50802887
Reduced:	BrO2S2N5H18C21 (1)
Stoich.:	AB2C2D5E18F21 (1)
Weight, g/mol:	489.183461
ΔH_f, kcal/mol:	51.58
Dipole, Da:	4.86
IP(EA), eV:	-9.15(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxyphenyl)-7-[[4-(3-phenylpropanoyl)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=CS4)C(=O)C5=CC(=CC=C5)Br

DOS

IR

Vibrations