Geometry & MOs

Info

ID:	427148
PubChem CID:	135155725
Reduced:	F3O3N6H27C29 (1)
Stoich.:	A3B3C6D27E29 (1)
Weight, g/mol:	523.181981
ΔH_f, kcal/mol:	-156.08
Dipole, Da:	6.76
IP(EA), eV:	-9.76(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[[4-(1,3-dihydroisoindole-2-carbonyl)pyridin-2-yl]methyl]-5,5-bis(4-fluorophenyl)imidazol-4-one

Drug info:

PubChemData

Smile

C1COC[C@@H]1C[C@]2(C(=O)N(C(=N2)N)CC3=CC(=C(C=C3)C(F)(F)F)C(=O)N4CC5=NC=CN=C5C4)C6=CC=CC=C6

DOS

IR

Vibrations