Geometry & MOs

Info

ID:	67469
PubChem CID:	46506533
Reduced:	SF2N2O3H16C22 (1)
Stoich.:	AB2C2D3E16F22 (1)
Weight, g/mol:	442.055419
ΔH_f, kcal/mol:	-123.77
Dipole, Da:	3.49
IP(EA), eV:	-8.93(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-1-benzyl-3-[(3-chloro-4-fluoroanilino)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=C(C=C4)F)F)/S2(=O)=O

DOS

IR

Vibrations