Geometry & MOs

Info

ID:	337226
PubChem CID:	127256791
Reduced:	NSO3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	239.061614
ΔH_f, kcal/mol:	-94.17
Dipole, Da:	3.17
IP(EA), eV:	-8.75(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 2H-1,3-benzothiazole-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)COC(=O)N1CSC2=CC=CC=C21

DOS

IR

Vibrations