Geometry & MOs

Info

ID:	67655
PubChem CID:	46506908
Reduced:	FNSO3H20C24 (1)
Stoich.:	ABCD3E20F24 (1)
Weight, g/mol:	421.114793
ΔH_f, kcal/mol:	-87.44
Dipole, Da:	8.49
IP(EA), eV:	-9.21(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethylphenyl)-[7-fluoro-4-(4-methylphenyl)-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=CC=CC(=C4)C

DOS

IR

Vibrations