Geometry & MOs

Info

ID:	129113
PubChem CID:	51070951
Reduced:	N2O2F3C26H27 (1)
Stoich.:	A2B2C3D26E27 (1)
Weight, g/mol:	350.085577
ΔH_f, kcal/mol:	-88.98
Dipole, Da:	7.78
IP(EA), eV:	-9.02(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-6-chloro-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethylidene]-4H-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)C3=CC=C(C=C3)CN4CC=CC4)OC5=CC=CC(=C5)C(F)(F)F

DOS

IR

Vibrations