Geometry & MOs

Info

ID:	249190
PubChem CID:	103087580
Reduced:	FNSCl2O5C10H10 (1)
Stoich.:	ABCD2E5F10G10 (1)
Weight, g/mol:	282.086056
ΔH_f, kcal/mol:	-245.63
Dipole, Da:	6.35
IP(EA), eV:	-10.38(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methylsulfanylbutylamino)-4H-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1S(=O)(=O)NC(CCO)C(=O)O)Cl)F)Cl

DOS

IR

Vibrations