Geometry & MOs

Info

ID:	437903
PubChem CID:	135227297
Reduced:	SF5N5H14C22 (1)
Stoich.:	AB5C5D14E22 (1)
Weight, g/mol:	505.113743
ΔH_f, kcal/mol:	-65.68
Dipole, Da:	2.01
IP(EA), eV:	-9.21(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]pyrazolo[1,5-c]pyrimidine

Drug info:

PubChemData

Smile

C1CC1C2=C(N3C=C(N=CC3=N2)C4=CC(=C(C=C4)F)S(F)(F)F)C5=C(C6=C(C=C5)NN=C6)F

DOS

IR

Vibrations