Geometry & MOs

Info

ID:	67546
PubChem CID:	46506686
Reduced:	FSN2O3H19C23 (1)
Stoich.:	ABC2D3E19F23 (1)
Weight, g/mol:	422.110042
ΔH_f, kcal/mol:	-89.69
Dipole, Da:	3.18
IP(EA), eV:	-8.83(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[(2-fluoroanilino)methylidene]-1-[(3-methylphenyl)methyl]-2,2-dioxo-2lambda6,1-benzothiazin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C3=CC=CC=C3C(=O)/C(=C\NC4=CC=C(C=C4)F)/S2(=O)=O

DOS

IR

Vibrations