Geometry & MOs

Info

ID:	67661
PubChem CID:	46506915
Reduced:	FNSO5H20C25 (1)
Stoich.:	ABCD5E20F25 (1)
Weight, g/mol:	425.089721
ΔH_f, kcal/mol:	-150.53
Dipole, Da:	9.72
IP(EA), eV:	-9.23(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethylphenyl)-[7-fluoro-4-(4-fluorophenyl)-1,1-dioxo-1lambda6,4-benzothiazin-2-yl]methanone

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)C2=CN(C3=C(S2(=O)=O)C=C(C=C3)F)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations