Geometry & MOs

Info

ID:	36387
PubChem CID:	8004878
Reduced:	N2S2O3H18C19 (1)
Stoich.:	A2B2C3D18E19 (1)
Weight, g/mol:	332.045334
ΔH_f, kcal/mol:	-65.58
Dipole, Da:	4.44
IP(EA), eV:	-8.91(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3CS2

DOS

IR

Vibrations