Geometry & MOs

Info

ID:	424500
PubChem CID:	135122917
Reduced:	OSF3N6C25H25 (1)
Stoich.:	ABC3D6E25F25 (1)
Weight, g/mol:	300.984338
ΔH_f, kcal/mol:	-73.74
Dipole, Da:	3.62
IP(EA), eV:	-8.74(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3H-imidazo[1,2-a]pyridin-4-ium-2-one;chloride

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1NC(=S)N/N=C/C(=C/C2=CN=C(N=C2)NC3=CC=C(C=C3)OC(F)(F)F)/C

DOS

IR

Vibrations