Geometry & MOs

Info

ID:	172333
PubChem CID:	75497054
Reduced:	OSF3N3C10H14 (1)
Stoich.:	ABC3D3E10F14 (1)
Weight, g/mol:	324.08341
ΔH_f, kcal/mol:	-166.85
Dipole, Da:	4.61
IP(EA), eV:	-9.33(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]methylamino]-2,3-dihydroisoindol-1-one

Drug info:

PubChemData

Smile

C1COCCC1C2=NN=C(SC2)NCC(F)(F)F

DOS

IR

Vibrations