Geometry & MOs

Info

ID:	437938
PubChem CID:	135227333
Reduced:	N5H9F10C22 (1)
Stoich.:	A5B9C10D22 (1)
Weight, g/mol:	449.073357
ΔH_f, kcal/mol:	-355.71
Dipole, Da:	5.24
IP(EA), eV:	-9.69(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trifluoro-[2-fluoro-5-[3-(4-fluoro-1H-indazol-5-yl)-2-methylimidazo[1,2-a]pyrazin-6-yl]phenyl]-lambda4-sulfane

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=CN3C(=NC(=C3C4=C(C5=C(C=C4)NN=C5)F)C(F)(F)F)C=N2)C(C(F)(F)F)(F)F)F

DOS

IR

Vibrations