Geometry & MOs

Info

ID:	427174
PubChem CID:	135155871
Reduced:	O2N7H29C30 (1)
Stoich.:	A2B7C29D30 (1)
Weight, g/mol:	540.17731
ΔH_f, kcal/mol:	69.14
Dipole, Da:	2.36
IP(EA), eV:	-9.3(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C2N1CCN(C2)C(=O)C3=CC=CC(=C3)CN4C(=O)C(N=C4N)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations