Geometry & MOs

Info

ID:	194798
PubChem CID:	78590914
Reduced:	Cl2N2O5H12C17 (1)
Stoich.:	A2B2C5D12E17 (1)
Weight, g/mol:	332.08913
ΔH_f, kcal/mol:	-81.95
Dipole, Da:	4.53
IP(EA), eV:	-9.68(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(1,3-benzothiazole-6-carbonylamino)-1-thiophen-2-ylethyl]-dimethylazanium

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C=CC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations