Geometry & MOs

Info

ID:	252447
PubChem CID:	103111455
Reduced:	OCl2N4C10H14 (1)
Stoich.:	AB2C4D10E14 (1)
Weight, g/mol:	270.082684
ΔH_f, kcal/mol:	-13.46
Dipole, Da:	6.96
IP(EA), eV:	-9.48(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-amino-2-methylphenyl)methyl]-1,2-benzothiazol-3-one

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=CC(=NN=C1Cl)Cl

DOS

IR

Vibrations