Geometry & MOs

Info

ID:	444548
PubChem CID:	135262831
Reduced:	ClSN2O4H23C24 (1)
Stoich.:	ABC2D4E23F24 (1)
Weight, g/mol:	263.001907
ΔH_f, kcal/mol:	-89.03
Dipole, Da:	4.42
IP(EA), eV:	-8.91(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)acetic acid;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)Cl)NC(=O)C3(CC3)C4=CC5=C(C=C4)NS(=O)(=O)C5)C

DOS

IR

Vibrations