Geometry & MOs

Info

ID:	437902
PubChem CID:	135227296
Reduced:	BrN2F4H13C17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	475.089007
ΔH_f, kcal/mol:	-134.94
Dipole, Da:	3.19
IP(EA), eV:	-8.97(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NN2C=CC(=CC2=C1Br)C3=CC(=C(C=C3)F)C(F)(F)F

DOS

IR

Vibrations