Geometry & MOs

Info

ID:	184194
PubChem CID:	77126441
Reduced:	N2S2O3H8C9 (1)
Stoich.:	A2B2C3D8E9 (1)
Weight, g/mol:	234.093918
ΔH_f, kcal/mol:	-38.64
Dipole, Da:	4.85
IP(EA), eV:	-8.85(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(pyrazolidin-4-ylmethyl)-2,1-benzothiazol-3-amine

Drug info:

PubChemData

Smile

C1=CN=CC(C1=O)S(=O)(=O)NC2=CSC=C2

DOS

IR

Vibrations