Geometry & MOs

Info

ID:	172008
PubChem CID:	75453107
Reduced:	SF3O3N4C14H15 (1)
Stoich.:	AB3C3D4E14F15 (1)
Weight, g/mol:	285.111341
ΔH_f, kcal/mol:	-186.86
Dipole, Da:	11.14
IP(EA), eV:	-9.69(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-3,4-dihydro-1H-isochromene-1-carboxamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1C2CC2)CNS(=O)(=O)C3=CC=CC=C3OC(F)(F)F

DOS

IR

Vibrations