Geometry & MOs

Info

ID:	429616
PubChem CID:	135169665
Reduced:	FSO3N4C19H21 (1)
Stoich.:	ABC3D4E19F21 (1)
Weight, g/mol:	340.019703
ΔH_f, kcal/mol:	-100.84
Dipole, Da:	3.82
IP(EA), eV:	-8.64(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-chloropyrimidin-4-yl)methoxy]-7-fluoro-4-methoxy-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

COC1=CC(=C(C2=C1N=C(S2)C3CCCCC3O)F)OCC4=NC(=NC=C4)N

DOS

IR

Vibrations