Geometry & MOs

Info

ID:	67660
PubChem CID:	46506914
Reduced:	FNSO4H22C25 (1)
Stoich.:	ABCD4E22F25 (1)
Weight, g/mol:	465.104622
ΔH_f, kcal/mol:	-125.51
Dipole, Da:	9.77
IP(EA), eV:	-9.2(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluoro-1,1-dioxo-1lambda6,4-benzothiazin-2-yl]-(4-ethylphenyl)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=C(C=C4)OCC

DOS

IR

Vibrations