Geometry & MOs

Info

ID:	429519
PubChem CID:	135169568
Reduced:	ClFSO3N4C20H22 (1)
Stoich.:	ABCD3E4F20G22 (1)
Weight, g/mol:	368.051003
ΔH_f, kcal/mol:	-111.39
Dipole, Da:	6.62
IP(EA), eV:	-8.46(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-amino-3-fluoropyridin-4-yl)methoxy]-7-chloro-4-methoxy-N-methyl-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations