Geometry & MOs

Info

ID:	372488
PubChem CID:	131298509
Reduced:	ON2C11H16 (1)
Stoich.:	AB2C11D16 (1)
Weight, g/mol:	284.94591
ΔH_f, kcal/mol:	-19.55
Dipole, Da:	6.63
IP(EA), eV:	-9.32(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-bromo-1,3-benzothiazole-6-carboxylate

Drug info:

PubChemData

Smile

CNCC1C=C2CCCCC2=NC1=O

DOS

IR

Vibrations