Geometry & MOs

Info

ID:	150511
PubChem CID:	53790204
Reduced:	BrN2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	222.046299
ΔH_f, kcal/mol:	-24.31
Dipole, Da:	4.71
IP(EA), eV:	-8.68(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-aminoethyl 1,3-benzothiazole-2-carboxylate

Drug info:

PubChemData

Smile

CNC(=O)C(=NOC)C1=CC=CC=C1CBr

DOS

IR

Vibrations