Geometry & MOs

Info

ID:	449658
PubChem CID:	135300388
Reduced:	OF2N2H9C10 (2)
Stoich.:	AB2C2D9E10 (2)
Weight, g/mol:	423.172896
ΔH_f, kcal/mol:	-189.75
Dipole, Da:	5.33
IP(EA), eV:	-9.21(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)N4CCC(CC4)F

DOS

IR

Vibrations