Geometry & MOs

Info

ID:	85404
PubChem CID:	49874797
Reduced:	N2O3H20C21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	447.011426
ΔH_f, kcal/mol:	-46.06
Dipole, Da:	2.54
IP(EA), eV:	-8.68(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-6-chloro-3-[hydroxy-[(6-phenylpyridin-2-yl)amino]methylidene]-2-methyl-1,1-dioxothieno[2,3-e]thiazin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2=C(C=C1C#N)C(=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations