Geometry & MOs

Info

ID:	427172
PubChem CID:	135155862
Reduced:	F3O3N7H28C34 (1)
Stoich.:	A3B3C7D28E34 (1)
Weight, g/mol:	504.196154
ΔH_f, kcal/mol:	-120.48
Dipole, Da:	4.57
IP(EA), eV:	-9.31(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1N2C3=C(NC2=O)N=C(C=C3)F)C(=O)C4=CC=CC(=C4)CN5C(=O)C(N=C5N)(C6=CC=C(C=C6)F)C7=CC=C(C=C7)F

DOS

IR

Vibrations