Geometry & MOs

Info

ID:	429323
PubChem CID:	135169292
Reduced:	FSO3N5C19H22 (1)
Stoich.:	ABC3D5E19F22 (1)
Weight, g/mol:	321.069574
ΔH_f, kcal/mol:	-96.0
Dipole, Da:	4.41
IP(EA), eV:	-8.21(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C2=C1N=C(S2)NC3CCCC[C@@H]3O)F)OCC4=NC(=NC=C4)N

DOS

IR

Vibrations