Geometry & MOs

Info

ID:	231370
PubChem CID:	87573569
Reduced:	ClO3N8C22H25 (1)
Stoich.:	AB3C8D22E25 (1)
Weight, g/mol:	388.032279
ΔH_f, kcal/mol:	-32.98
Dipole, Da:	12.17
IP(EA), eV:	-9.23(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

8-[(6-chloropyridin-3-yl)methyl]-6-(4-fluorophenyl)-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-5-one

Drug info:

PubChemData

Smile

C1CC1NC2=CC(=NN3C2=NC=C3C(=O)NC4=CC(=NC=C4)Cl)NC5CCC(CC5)OC(=O)N

DOS

IR

Vibrations