Geometry & MOs

Info

ID:	275903
PubChem CID:	103818882
Reduced:	OF2N2S2H12C14 (1)
Stoich.:	AB2C2D2E12F14 (1)
Weight, g/mol:	272.109568
ΔH_f, kcal/mol:	-62.72
Dipole, Da:	3.86
IP(EA), eV:	-8.64(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-propylpyrazol-4-yl)methyl]-1,3-benzothiazol-6-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1NCC3=CC=C(O3)CSC(F)F)SC=N2

DOS

IR

Vibrations