Geometry & MOs

Info

ID:	293174
PubChem CID:	117375835
Reduced:	NSO3H11C12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	249.045964
ΔH_f, kcal/mol:	-38.98
Dipole, Da:	4.3
IP(EA), eV:	-8.66(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-methyl-1,2-benzothiazol-6-yl)-2-oxoacetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NOC(=C2)C(=O)O)SC

DOS

IR

Vibrations