Geometry & MOs

Info

ID:	427167
PubChem CID:	135155829
Reduced:	Cl2F2O2N4H22C31 (1)
Stoich.:	A2B2C2D4E22F31 (1)
Weight, g/mol:	505.191403
ΔH_f, kcal/mol:	-57.34
Dipole, Da:	3.48
IP(EA), eV:	-9.45(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[[3-(1,3-dihydroisoindole-2-carbonyl)phenyl]methyl]-5-(4-fluorophenyl)-5-pyridin-2-ylimidazol-4-one

Drug info:

PubChemData

Smile

C1C2=CC(=C(C=C2CN1C(=O)C3=CC=CC(=C3)CN4C(=O)C(N=C4N)(C5=CC=C(C=C5)F)C6=CC=C(C=C6)F)Cl)Cl

DOS

IR

Vibrations