Geometry & MOs

Info

ID:	146131
PubChem CID:	53641175
Reduced:	Cl3N3O5H16C22 (1)
Stoich.:	A3B3C5D16E22 (1)
Weight, g/mol:	319.061334
ΔH_f, kcal/mol:	-55.9
Dipole, Da:	9.35
IP(EA), eV:	-9.92(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-1-(3-oxo-2H-benzotriazol-3-ium-1-yl)ethanone

Drug info:

PubChemData

Smile

CCOC(=NC(=O)NC1=CC(=C(C(=C1)Cl)OC2=CC=C(C=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3Cl

DOS

IR

Vibrations