Geometry & MOs

Info

ID:	429541
PubChem CID:	135169590
Reduced:	FSO3N4C20H23 (1)
Stoich.:	ABC3D4E20F23 (1)
Weight, g/mol:	334.089975
ΔH_f, kcal/mol:	-108.4
Dipole, Da:	5.24
IP(EA), eV:	-8.4(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-amino-3-fluoropyridin-4-yl)methoxy]-4-methoxy-N-methyl-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

COC1=C2C(=CC(=C1)OCC3=C(C(=NC=C3)N)F)SC(=N2)NC4CCCC[C@@H]4O

DOS

IR

Vibrations