Geometry & MOs

Info

ID:	228088
PubChem CID:	87563378
Reduced:	OSN3C17H19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	363.056529
ΔH_f, kcal/mol:	5.29
Dipole, Da:	11.05
IP(EA), eV:	-8.14(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[hydroxy(naphthalen-2-yl)methylidene]-2-methyl-1,2-benzothiazine-4,7,8-trione

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N

DOS

IR

Vibrations