Geometry & MOs

Info

ID:	67670
PubChem CID:	46506931
Reduced:	FNSO3H16C22 (1)
Stoich.:	ABCD3E16F22 (1)
Weight, g/mol:	407.099143
ΔH_f, kcal/mol:	-66.29
Dipole, Da:	6.83
IP(EA), eV:	-9.27(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-ethylphenyl)-6-fluoro-1,1-dioxo-1lambda6,4-benzothiazin-2-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C=C(S(=O)(=O)C3=C2C=C(C=C3)F)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations