Geometry & MOs

Info

ID:	73784
PubChem CID:	48420425
Reduced:	SN4O5C15H16 (1)
Stoich.:	AB4C5D15E16 (1)
Weight, g/mol:	336.052841
ΔH_f, kcal/mol:	-127.77
Dipole, Da:	3.49
IP(EA), eV:	-10.44(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 2-methyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxylate

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C2=C(S1(=O)=O)C=C(C=C2)C(=O)OCCN3C=NC=N3

DOS

IR

Vibrations