Geometry & MOs

Info

ID:	50166
PubChem CID:	12012674
Reduced:	NOI2H7C11 (1)
Stoich.:	ABC2D7E11 (1)
Weight, g/mol:	279.056529
ΔH_f, kcal/mol:	62.37
Dipole, Da:	3.85
IP(EA), eV:	-9.45(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2,3-dioxo-1,4-benzothiazin-4-yl)propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OC2=C(C=NC=C2)I)I

DOS

IR

Vibrations