Geometry & MOs

Info

ID:	427166
PubChem CID:	135155828
Reduced:	FO2N5H30C33 (1)
Stoich.:	AB2C5D30E33 (1)
Weight, g/mol:	590.108788
ΔH_f, kcal/mol:	5.65
Dipole, Da:	3.56
IP(EA), eV:	-8.39(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[[3-(5,6-dichloro-1,3-dihydroisoindole-2-carbonyl)phenyl]methyl]-5,5-bis(4-fluorophenyl)imidazol-4-one

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC=CC(=C3)CN4C(=O)C(N=C4N)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations