Geometry & MOs

Info

ID:	295682
PubChem CID:	117542342
Reduced:	NOSH15C16 (1)
Stoich.:	ABCD15E16 (1)
Weight, g/mol:	259.046713
ΔH_f, kcal/mol:	-6.05
Dipole, Da:	2.3
IP(EA), eV:	-8.66(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)-4H-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2C(=O)NC3=CC=CC=C3S2

DOS

IR

Vibrations