Geometry & MOs

Info

ID:	17662
PubChem CID:	510588
Reduced:	SN2O2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	274.077599
ΔH_f, kcal/mol:	-24.97
Dipole, Da:	5.87
IP(EA), eV:	-8.67(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl)aniline

Drug info:

PubChemData

Smile

CN1C(C2=CC=CC=C2S1(=O)=O)C3=CC=C(C=C3)N

DOS

IR

Vibrations