Geometry & MOs

Info

ID:	67468
PubChem CID:	46506532
Reduced:	SF2N2O3H16C22 (1)
Stoich.:	AB2C2D3E16F22 (1)
Weight, g/mol:	426.08497
ΔH_f, kcal/mol:	-123.91
Dipole, Da:	3.79
IP(EA), eV:	-8.93(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-1-benzyl-3-[(2,4-difluoroanilino)methylidene]-2,2-dioxo-2lambda6,1-benzothiazin-4-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations