Geometry & MOs

Info

ID:	375279
PubChem CID:	131485276
Reduced:	HSCl2N2F3O3C7 (1)
Stoich.:	ABC2D2E3F3G7 (1)
Weight, g/mol:	283.99089
ΔH_f, kcal/mol:	-211.47
Dipole, Da:	3.66
IP(EA), eV:	-11.36(-2.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-2-(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)acetate

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=N1)Cl)S(=O)(=O)Cl)OC(F)(F)F)C#N

DOS

IR

Vibrations