Geometry & MOs

Info

ID:	67671
PubChem CID:	46506932
Reduced:	FNSO3H18C23 (1)
Stoich.:	ABCD3E18F23 (1)
Weight, g/mol:	413.02887
ΔH_f, kcal/mol:	-76.45
Dipole, Da:	12.34
IP(EA), eV:	-9.55(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)N2C=C(S(=O)(=O)C3=C2C=C(C=C3)F)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations