Geometry & MOs

Info

ID:	64499
PubChem CID:	29201804
Reduced:	ClN2O4C16H19 (1)
Stoich.:	AB2C4D16E19 (1)
Weight, g/mol:	379.039355
ΔH_f, kcal/mol:	-109.63
Dipole, Da:	5.3
IP(EA), eV:	-9.11(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]oxyacetamide

Drug info:

PubChemData

Smile

C[C@H]1CC(=O)[C@@H]([C@@H]1C[N+](=O)[O-])CC(=O)NC2=CC(=C(C=C2)C)Cl

DOS

IR

Vibrations