Geometry & MOs

Info

ID:	46425
PubChem CID:	10524369
Reduced:	F3N3O4C17H22 (1)
Stoich.:	A3B3C4D17E22 (1)
Weight, g/mol:	389.138699
ΔH_f, kcal/mol:	-300.81
Dipole, Da:	4.16
IP(EA), eV:	-9.52(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-propan-2-yloxybutyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O/N=C(/CC1=CC(=CC=C1)C(F)(F)F)\N)NC(=O)OC(C)(C)C

DOS

IR

Vibrations