Geometry & MOs

Info

ID:	158923
PubChem CID:	57244213
Reduced:	ClN4O4C11H15 (1)
Stoich.:	AB4C4D11E15 (1)
Weight, g/mol:	441.090816
ΔH_f, kcal/mol:	-127.95
Dipole, Da:	9.23
IP(EA), eV:	-8.44(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-chloro-5-(2-diethoxyphosphorylethenyl)-2-fluorophenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

C1C(C2=C(NC=N1)N(C=N2)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)Cl)O

DOS

IR

Vibrations