Geometry & MOs

Info

ID:	447460
PubChem CID:	135283035
Reduced:	ClFON3C21H23 (1)
Stoich.:	ABCD3E21F23 (1)
Weight, g/mol:	529.09714
ΔH_f, kcal/mol:	-34.88
Dipole, Da:	7.59
IP(EA), eV:	-9.33(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[5-acetyl-1-(4-chlorophenyl)-2-[(5-chloropyridin-2-yl)methyl]-7-fluoro-3-oxoisoindol-1-yl]oxy-2-methylpropanamide

Drug info:

PubChemData

Smile

CC(CC(C)(C)N)COC1=C(N=C(C=C1)C2=C3C=CC(=CC3=NC=C2)F)Cl

DOS

IR

Vibrations