Geometry & MOs

Info

ID:	127169
PubChem CID:	50993141
Reduced:	NPSO5C16H24 (1)
Stoich.:	ABCD5E16F24 (1)
Weight, g/mol:	435.088892
ΔH_f, kcal/mol:	-239.46
Dipole, Da:	1.93
IP(EA), eV:	-8.87(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3E)-3-[hydroxy(phenyl)methylidene]-1,1,4-trioxo-1lambda6,2-benzothiazin-2-yl]-N-pyridin-4-ylacetamide

Drug info:

PubChemData

Smile

CCOP(=O)(C1=CC=C(O1)C2=C(SC(=N2)CO)CC(C)C)OCC

DOS

IR

Vibrations