Geometry & MOs

Info

ID:	50167
PubChem CID:	12012675
Reduced:	NSO4C13H13 (1)
Stoich.:	ABC4D13E13 (1)
Weight, g/mol:	279.092915
ΔH_f, kcal/mol:	-127.34
Dipole, Da:	4.78
IP(EA), eV:	-9.17(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C(C)N1C2=CC=CC=C2SC(=O)C1=O

DOS

IR

Vibrations