Geometry & MOs

Info

ID:	372263
PubChem CID:	131294837
Reduced:	BrON4C9H11 (1)
Stoich.:	ABC4D9E11 (1)
Weight, g/mol:	236.061949
ΔH_f, kcal/mol:	19.78
Dipole, Da:	7.01
IP(EA), eV:	-9.49(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-amino-2-methyl-1,3-benzothiazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=CN2C(=C(N=C2N=C1)Br)C(CCN)O

DOS

IR

Vibrations