Geometry & MOs

Info

ID:	67467
PubChem CID:	46506530
Reduced:	SN2O4H18C21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	426.08497
ΔH_f, kcal/mol:	-64.23
Dipole, Da:	2.83
IP(EA), eV:	-8.82(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-1-benzyl-3-[(2,5-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/NCC4=CC=CO4)/S2(=O)=O

DOS

IR

Vibrations