Geometry & MOs

Info

ID:	270207
PubChem CID:	103634528
Reduced:	BrN2S2O3C9H13 (1)
Stoich.:	AB2C2D3E9F13 (1)
Weight, g/mol:	295.089167
ΔH_f, kcal/mol:	-83.44
Dipole, Da:	5.76
IP(EA), eV:	-9.55(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1,3-benzothiazol-6-amine

Drug info:

PubChemData

Smile

CCN(C)C(=O)CNS(=O)(=O)C1=CC=C(S1)Br

DOS

IR

Vibrations