Geometry & MOs

Info

ID:	231350
PubChem CID:	87573527
Reduced:	SN3O3F4H23C27 (1)
Stoich.:	AB3C3D4E23F27 (1)
Weight, g/mol:	370.0417
ΔH_f, kcal/mol:	-191.82
Dipole, Da:	9.22
IP(EA), eV:	-9.12(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=C(C=C(C=C1F)CNC(=O)/C=C\C2=C(N=C(C=C2)C(F)(F)F)CCC3=CC=CC=C3)C#C

DOS

IR

Vibrations