Geometry & MOs

Info

ID:	299968
PubChem CID:	118043607
Reduced:	ClS2F3N3O4C16H18 (1)
Stoich.:	AB2C3D3E4F16G18 (1)
Weight, g/mol:	374.064452
ΔH_f, kcal/mol:	-245.21
Dipole, Da:	3.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.078631
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(5-fluoro-1-hydroxypyridin-1-ium-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methyl-3-methylsulfonylpropanamide

Drug info:

PubChemData

Smile

CCN(C1=C(N=C(S1)C2=C[N+](=CC=C2)O)Cl)C(=O)C(C)CS(=O)(=O)CC(F)(F)F

DOS

IR

Vibrations